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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide

C150H150N32O12S17 — CID 161137487

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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
SMILESC=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.CC(C)(Sc1nnc(-c2ccsc2)n1S(C)(=O)=O)C(=O)Nc1ccccc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccsc3)n2-c2ccccc2)CC1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.O=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccsc1
InChIInChI=1S/C22H18N4OS2.C21H24N4OS2.C20H20N4OS2.C20H24N4OS2.C18H20N4OS2.C17H18N4O3S3.C17H14N4O2S2.C15H12N4O2S2/c27-20(23-17-7-3-1-4-8-17)22(12-13-22)29-21-25-24-19(16-11-14-28-15-16)26(21)18-9-5-2-6-10-18;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;1-4-22-15(13-10-11-24-12-13)20-21-17(22)25-18(2,3)16(23)19-14-8-6-5-7-9-14;1-17(2,15(22)18-13-7-5-4-6-8-13)26-16-20-19-14(12-9-10-25-11-12)21(16)27(3,23)24;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;20-10-19-14(11-6-7-22-8-11)17-18-15(19)23-9-13(21)16-12-4-2-1-3-5-12/h1-11,14-15H,12-13H2,(H,23,27);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,19,23);4-11H,1-3H3,(H,18,22);1-6,9-11H,7-8H2,(H,18,23);1-8,10H,9H2,(H,16,21)
InChIKeyUMZGNIOWTMTYOD-UHFFFAOYSA-N
MW3138.20 g/mol
LogP34.28
Rot. Bonds51

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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (PubChem CID 161137487) has the molecular formula C150H150N32O12S17 and a molecular weight of 3138.20 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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
PubChem CID161137487
Molecular FormulaC150H150N32O12S17
Molecular Weight3138.20 g/mol
Exact Mass3134.74
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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
SMILESC=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.CC(C)(Sc1nnc(-c2ccsc2)n1S(C)(=O)=O)C(=O)Nc1ccccc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccsc3)n2-c2ccccc2)CC1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.O=Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccsc1
InChIInChI=1S/C22H18N4OS2.C21H24N4OS2.C20H20N4OS2.C20H24N4OS2.C18H20N4OS2.C17H18N4O3S3.C17H14N4O2S2.C15H12N4O2S2/c27-20(23-17-7-3-1-4-8-17)22(12-13-22)29-21-25-24-19(16-11-14-28-15-16)26(21)18-9-5-2-6-10-18;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;1-4-22-15(13-10-11-24-12-13)20-21-17(22)25-18(2,3)16(23)19-14-8-6-5-7-9-14;1-17(2,15(22)18-13-7-5-4-6-8-13)26-16-20-19-14(12-9-10-25-11-12)21(16)27(3,23)24;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;20-10-19-14(11-6-7-22-8-11)17-18-15(19)23-9-13(21)16-12-4-2-1-3-5-12/h1-11,14-15H,12-13H2,(H,23,27);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,19,23);4-11H,1-3H3,(H,18,22);1-6,9-11H,7-8H2,(H,18,23);1-8,10H,9H2,(H,16,21)
InChIKeyUMZGNIOWTMTYOD-UHFFFAOYSA-N
XLogP34.28
TPSA546.76 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds51
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003138.20
LogP ≤ 534.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (CID 161137487) 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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is C=CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.C=CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.CC(C)(Sc1nnc(-c2ccsc2)n1S(C)(=O)=O)C(=O)Nc1ccccc1.CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccsc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3ccsc3)n2-c2ccccc2)CC1.O=Cn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.O=Cn1c(SCC(=O)Nc2ccccc2)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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The InChIKey is UMZGNIOWTMTYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS2.C21H24N4OS2.C20H20N4OS2.C20H24N4OS2.C18H20N4OS2.C17H18N4O3S3.C17H14N4O2S2.C15H12N4O2S2/c27-20(23-17-7-3-1-4-8-17)22(12-13-22)29-21-25-24-19(16-11-14-28-15-16)26(21)18-9-5-2-6-10-18;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;1-4-22-15(13-10-11-24-12-13)20-21-17(22)25-18(2,3)16(23)19-14-8-6-5-7-9-14;1-17(2,15(22)18-13-7-5-4-6-8-13)26-16-20-19-14(12-9-10-25-11-12)21(16)27(3,23)24;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;20-10-19-14(11-6-7-22-8-11)17-18-15(19)23-9-13(21)16-12-4-2-1-3-5-12/h1-11,14-15H,12-13H2,(H,23,27);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,19,23);4-11H,1-3H3,(H,18,22);1-6,9-11H,7-8H2,(H,18,23);1-8,10H,9H2,(H,16,21).
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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide has a molecular weight of 3138.20 g/mol, XLogP of 34.28, 51 rotatable bonds, 8 hydrogen bond donors, and 52 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-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-methyl-N-phenylpropanamide;2-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-formyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-methyl-2-[(4-methylsulfonyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide;N-phenyl-1-[(4-phenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 161137487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).