N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide

C133H210ClF7N16O26S8 — CID 160518801

IUPACN-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c(F)cc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1F.CC(C)(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/2C19H32N2O3S.C18H30N2O3S.C16H23F3N2O4S.C16H26N2O4S.C15H23ClN2O3S.C15H21F3N2O3S.C15H23FN2O3S/c1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6;1-6-15(2)16-10-12-17(13-11-16)21-18(22)9-7-8-14-20-25(23,24)19(3,4)5;1-14(2)15-9-11-16(12-10-15)20-17(21)8-6-7-13-19-24(22,23)18(3,4)5;1-15(2,3)26(23,24)20-11-5-4-6-14(22)21-12-7-9-13(10-8-12)25-16(17,18)19;1-16(2,3)23(20,21)17-12-6-5-7-15(19)18-13-8-10-14(22-4)11-9-13;1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13;1-15(2,3)24(22,23)19-7-5-4-6-13(21)20-14-11(17)8-10(16)9-12(14)18;1-15(2,3)22(20,21)17-11-7-6-10-14(19)18-13-9-5-4-8-12(13)16/h10-13,20H,7-9,14H2,1-6H3,(H,21,22);10-13,15,20H,6-9,14H2,1-5H3,(H,21,22);9-12,14,19H,6-8,13H2,1-5H3,(H,20,21);7-10,20H,4-6,11H2,1-3H3,(H,21,22);8-11,17H,5-7,12H2,1-4H3,(H,18,19);7-10,17H,4-6,11H2,1-3H3,(H,18,19);8-9,19H,4-7H2,1-3H3,(H,20,21);4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyQTZRKRMNFHKBBE-UHFFFAOYSA-N
MW2874.20 g/mol
LogP26.16
Rot. Bonds61

About N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide

N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide (PubChem CID 160518801) has the molecular formula C133H210ClF7N16O26S8 and a molecular weight of 2874.20 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide
PubChem CID160518801
Molecular FormulaC133H210ClF7N16O26S8
Molecular Weight2874.20 g/mol
Exact Mass2871.29
IUPAC NameN-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c(F)cc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1F.CC(C)(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/2C19H32N2O3S.C18H30N2O3S.C16H23F3N2O4S.C16H26N2O4S.C15H23ClN2O3S.C15H21F3N2O3S.C15H23FN2O3S/c1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6;1-6-15(2)16-10-12-17(13-11-16)21-18(22)9-7-8-14-20-25(23,24)19(3,4)5;1-14(2)15-9-11-16(12-10-15)20-17(21)8-6-7-13-19-24(22,23)18(3,4)5;1-15(2,3)26(23,24)20-11-5-4-6-14(22)21-12-7-9-13(10-8-12)25-16(17,18)19;1-16(2,3)23(20,21)17-12-6-5-7-15(19)18-13-8-10-14(22-4)11-9-13;1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13;1-15(2,3)24(22,23)19-7-5-4-6-13(21)20-14-11(17)8-10(16)9-12(14)18;1-15(2,3)22(20,21)17-11-7-6-10-14(19)18-13-9-5-4-8-12(13)16/h10-13,20H,7-9,14H2,1-6H3,(H,21,22);10-13,15,20H,6-9,14H2,1-5H3,(H,21,22);9-12,14,19H,6-8,13H2,1-5H3,(H,20,21);7-10,20H,4-6,11H2,1-3H3,(H,21,22);8-11,17H,5-7,12H2,1-4H3,(H,18,19);7-10,17H,4-6,11H2,1-3H3,(H,18,19);8-9,19H,4-7H2,1-3H3,(H,20,21);4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyQTZRKRMNFHKBBE-UHFFFAOYSA-N
XLogP26.16
TPSA620.62 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds61
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.20
LogP ≤ 526.16
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-propan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 157483960
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
CID 17398492
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112998738
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide (CID 160518801) is N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c(F)cc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1F.CC(C)(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide?
The InChIKey is QTZRKRMNFHKBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H32N2O3S.C18H30N2O3S.C16H23F3N2O4S.C16H26N2O4S.C15H23ClN2O3S.C15H21F3N2O3S.C15H23FN2O3S/c1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6;1-6-15(2)16-10-12-17(13-11-16)21-18(22)9-7-8-14-20-25(23,24)19(3,4)5;1-14(2)15-9-11-16(12-10-15)20-17(21)8-6-7-13-19-24(22,23)18(3,4)5;1-15(2,3)26(23,24)20-11-5-4-6-14(22)21-12-7-9-13(10-8-12)25-16(17,18)19;1-16(2,3)23(20,21)17-12-6-5-7-15(19)18-13-8-10-14(22-4)11-9-13;1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13;1-15(2,3)24(22,23)19-7-5-4-6-13(21)20-14-11(17)8-10(16)9-12(14)18;1-15(2,3)22(20,21)17-11-7-6-10-14(19)18-13-9-5-4-8-12(13)16/h10-13,20H,7-9,14H2,1-6H3,(H,21,22);10-13,15,20H,6-9,14H2,1-5H3,(H,21,22);9-12,14,19H,6-8,13H2,1-5H3,(H,20,21);7-10,20H,4-6,11H2,1-3H3,(H,21,22);8-11,17H,5-7,12H2,1-4H3,(H,18,19);7-10,17H,4-6,11H2,1-3H3,(H,18,19);8-9,19H,4-7H2,1-3H3,(H,20,21);4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide?
N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide has a molecular weight of 2874.20 g/mol, XLogP of 26.16, 61 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide is sourced from PubChem (CID 160518801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).