N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide

C203H226F2N40O11S20 — CID 159015891

IUPACN-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide
SMILESC=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1
InChIInChI=1S/C23H28N4OS2.C22H26N4OS2.C21H24N4OS2.C21H26N4OS2.C21H24N4OS2.C20H20N4OS2.C20H24N4OS2.C19H20F2N4OS2.C19H20N4OS2.C17H14N4O2S2/c1-4-27-20(18-11-14-29-15-18)25-26-22(27)30-23(12-5-6-13-23)21(28)24-19-9-7-17(8-10-19)16(2)3;1-5-26-19(17-8-11-28-13-17)24-25-21(26)29-22(9-10-22)20(27)23-18-7-6-16(14(2)3)12-15(18)4;1-4-25-18(16-9-12-27-13-16)23-24-20(25)28-21(10-11-21)19(26)22-17-7-5-15(6-8-17)14(2)3;1-6-25-18(16-11-12-27-13-16)23-24-20(25)28-21(4,5)19(26)22-17-9-7-15(8-10-17)14(2)3;1-5-11-25-19(15-10-12-27-13-15)23-24-20(25)28-14-18(26)22-17-8-6-16(7-9-17)21(2,3)4;1-2-10-24-19(16-9-11-26-12-16)22-23-20(24)27-13-18(25)21-17-7-5-15(6-8-17)14-3-4-14;1-5-24-18(14-10-11-26-12-14)22-23-19(24)27-13-17(25)21-16-8-6-15(7-9-16)20(2,3)4;1-4-25-16(14-9-10-27-11-14)23-24-18(25)28-19(20,21)17(26)22-15-7-5-13(6-8-15)12(2)3;1-2-23-18(15-9-10-25-11-15)21-22-19(23)26-12-17(24)20-16-7-5-14(6-8-16)13-3-4-13;22-11-21-14(12-6-9-24-10-12)19-20-16(21)25-17(7-8-17)15(23)18-13-4-2-1-3-5-13/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,24,28);6-8,11-14H,5,9-10H2,1-4H3,(H,23,27);5-9,12-14H,4,10-11H2,1-3H3,(H,22,26);7-14H,6H2,1-5H3,(H,22,26);5-10,12-13H,1,11,14H2,2-4H3,(H,22,26);2,5-9,11-12,14H,1,3-4,10,13H2,(H,21,25);6-12H,5,13H2,1-4H3,(H,21,25);5-12H,4H2,1-3H3,(H,22,26);5-11,13H,2-4,12H2,1H3,(H,20,24);1-6,9-11H,7-8H2,(H,18,23)
InChIKeyJTBWJEYCDCJGRF-UHFFFAOYSA-N
MW4081.65 g/mol
LogP51.48
Rot. Bonds69

About N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide

N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide (PubChem CID 159015891) has the molecular formula C203H226F2N40O11S20 and a molecular weight of 4081.65 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide
PubChem CID159015891
Molecular FormulaC203H226F2N40O11S20
Molecular Weight4081.65 g/mol
Exact Mass4077.27
IUPAC NameN-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide
SMILESC=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1
InChIInChI=1S/C23H28N4OS2.C22H26N4OS2.C21H24N4OS2.C21H26N4OS2.C21H24N4OS2.C20H20N4OS2.C20H24N4OS2.C19H20F2N4OS2.C19H20N4OS2.C17H14N4O2S2/c1-4-27-20(18-11-14-29-15-18)25-26-22(27)30-23(12-5-6-13-23)21(28)24-19-9-7-17(8-10-19)16(2)3;1-5-26-19(17-8-11-28-13-17)24-25-21(26)29-22(9-10-22)20(27)23-18-7-6-16(14(2)3)12-15(18)4;1-4-25-18(16-9-12-27-13-16)23-24-20(25)28-21(10-11-21)19(26)22-17-7-5-15(6-8-17)14(2)3;1-6-25-18(16-11-12-27-13-16)23-24-20(25)28-21(4,5)19(26)22-17-9-7-15(8-10-17)14(2)3;1-5-11-25-19(15-10-12-27-13-15)23-24-20(25)28-14-18(26)22-17-8-6-16(7-9-17)21(2,3)4;1-2-10-24-19(16-9-11-26-12-16)22-23-20(24)27-13-18(25)21-17-7-5-15(6-8-17)14-3-4-14;1-5-24-18(14-10-11-26-12-14)22-23-19(24)27-13-17(25)21-16-8-6-15(7-9-16)20(2,3)4;1-4-25-16(14-9-10-27-11-14)23-24-18(25)28-19(20,21)17(26)22-15-7-5-13(6-8-15)12(2)3;1-2-23-18(15-9-10-25-11-15)21-22-19(23)26-12-17(24)20-16-7-5-14(6-8-16)13-3-4-13;22-11-21-14(12-6-9-24-10-12)19-20-16(21)25-17(7-8-17)15(23)18-13-4-2-1-3-5-13/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,24,28);6-8,11-14H,5,9-10H2,1-4H3,(H,23,27);5-9,12-14H,4,10-11H2,1-3H3,(H,22,26);7-14H,6H2,1-5H3,(H,22,26);5-10,12-13H,1,11,14H2,2-4H3,(H,22,26);2,5-9,11-12,14H,1,3-4,10,13H2,(H,21,25);6-12H,5,13H2,1-4H3,(H,21,25);5-12H,4H2,1-3H3,(H,22,26);5-11,13H,2-4,12H2,1H3,(H,20,24);1-6,9-11H,7-8H2,(H,18,23)
InChIKeyJTBWJEYCDCJGRF-UHFFFAOYSA-N
XLogP51.48
TPSA615.17 Ų
H-Bond Donors10
H-Bond Acceptors61
Rotatable Bonds69
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004081.65
LogP ≤ 551.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide (CID 159015891) is N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide is C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is JTBWJEYCDCJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS2.C22H26N4OS2.C21H24N4OS2.C21H26N4OS2.C21H24N4OS2.C20H20N4OS2.C20H24N4OS2.C19H20F2N4OS2.C19H20N4OS2.C17H14N4O2S2/c1-4-27-20(18-11-14-29-15-18)25-26-22(27)30-23(12-5-6-13-23)21(28)24-19-9-7-17(8-10-19)16(2)3;1-5-26-19(17-8-11-28-13-17)24-25-21(26)29-22(9-10-22)20(27)23-18-7-6-16(14(2)3)12-15(18)4;1-4-25-18(16-9-12-27-13-16)23-24-20(25)28-21(10-11-21)19(26)22-17-7-5-15(6-8-17)14(2)3;1-6-25-18(16-11-12-27-13-16)23-24-20(25)28-21(4,5)19(26)22-17-9-7-15(8-10-17)14(2)3;1-5-11-25-19(15-10-12-27-13-15)23-24-20(25)28-14-18(26)22-17-8-6-16(7-9-17)21(2,3)4;1-2-10-24-19(16-9-11-26-12-16)22-23-20(24)27-13-18(25)21-17-7-5-15(6-8-17)14-3-4-14;1-5-24-18(14-10-11-26-12-14)22-23-19(24)27-13-17(25)21-16-8-6-15(7-9-16)20(2,3)4;1-4-25-16(14-9-10-27-11-14)23-24-18(25)28-19(20,21)17(26)22-15-7-5-13(6-8-15)12(2)3;1-2-23-18(15-9-10-25-11-15)21-22-19(23)26-12-17(24)20-16-7-5-14(6-8-16)13-3-4-13;22-11-21-14(12-6-9-24-10-12)19-20-16(21)25-17(7-8-17)15(23)18-13-4-2-1-3-5-13/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,24,28);6-8,11-14H,5,9-10H2,1-4H3,(H,23,27);5-9,12-14H,4,10-11H2,1-3H3,(H,22,26);7-14H,6H2,1-5H3,(H,22,26);5-10,12-13H,1,11,14H2,2-4H3,(H,22,26);2,5-9,11-12,14H,1,3-4,10,13H2,(H,21,25);6-12H,5,13H2,1-4H3,(H,21,25);5-12H,4H2,1-3H3,(H,22,26);5-11,13H,2-4,12H2,1H3,(H,20,24);1-6,9-11H,7-8H2,(H,18,23).
What are the key properties of N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 4081.65 g/mol, XLogP of 51.48, 69 rotatable bonds, 10 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-tert-butylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(4-cyclopropylphenyl)-2-[(4-prop-2-enyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 159015891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).