N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide

C95H116ClF3N10O17S5 — CID 158232012

IUPACN-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/2C21H28N2O3S.C18H19F3N2O4S.C18H22N2O4S.C17H19ClN2O3S/c1-20(2,3)16-9-13-17(14-10-16)22-19(24)15-7-11-18(12-8-15)23-27(25,26)21(4,5)6;1-6-15(2)16-7-11-18(12-8-16)22-20(24)17-9-13-19(14-10-17)23-27(25,26)21(3,4)5;1-17(2,3)28(25,26)23-14-6-4-12(5-7-14)16(24)22-13-8-10-15(11-9-13)27-18(19,20)21;1-18(2,3)25(22,23)20-15-7-5-13(6-8-15)17(21)19-14-9-11-16(24-4)12-10-14;1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h7-14,23H,1-6H3,(H,22,24);7-15,23H,6H2,1-5H3,(H,22,24);4-11,23H,1-3H3,(H,22,24);5-12,20H,1-4H3,(H,19,21);4-11,20H,1-3H3,(H,19,21)
InChIKeyGEMLJZNUPDIGDT-UHFFFAOYSA-N
MW1922.81 g/mol
LogP21.77
Rot. Bonds24

About N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide

N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 158232012) has the molecular formula C95H116ClF3N10O17S5 and a molecular weight of 1922.81 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID158232012
Molecular FormulaC95H116ClF3N10O17S5
Molecular Weight1922.81 g/mol
Exact Mass1920.68
IUPAC NameN-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/2C21H28N2O3S.C18H19F3N2O4S.C18H22N2O4S.C17H19ClN2O3S/c1-20(2,3)16-9-13-17(14-10-16)22-19(24)15-7-11-18(12-8-15)23-27(25,26)21(4,5)6;1-6-15(2)16-7-11-18(12-8-16)22-20(24)17-9-13-19(14-10-17)23-27(25,26)21(3,4)5;1-17(2,3)28(25,26)23-14-6-4-12(5-7-14)16(24)22-13-8-10-15(11-9-13)27-18(19,20)21;1-18(2,3)25(22,23)20-15-7-5-13(6-8-15)17(21)19-14-9-11-16(24-4)12-10-14;1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h7-14,23H,1-6H3,(H,22,24);7-15,23H,6H2,1-5H3,(H,22,24);4-11,23H,1-3H3,(H,22,24);5-12,20H,1-4H3,(H,19,21);4-11,20H,1-3H3,(H,19,21)
InChIKeyGEMLJZNUPDIGDT-UHFFFAOYSA-N
XLogP21.77
TPSA394.81 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001922.81
LogP ≤ 521.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[bis[(4-chloro-2-fluorophenyl)sulfonyl]amino]-N-(4-methoxyphenyl)benzamide
CID 16331496
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;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 157241285
4-[(4-Butan-2-ylanilino)methyl]aniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;4-[(4-methoxyanilino)methyl]aniline;hexakis(2-methylpropane-2-sulfinate);4-[(4-propan-2-ylanilino)methyl]aniline;4-[[4-(trifluoromethoxy)anilino]methyl]aniline
CID 157320943
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
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)cyclohexane-1-carboxamide
CID 157588650
N-(4-butan-2-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-chlorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-phenyl-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-propan-2-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 158873175
CID 159423913
CID 159423913
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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-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-propylphenyl)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 159547044
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 159621475
N-(4-butan-2-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-chlorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-propan-2-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 159648859
N-[(4-aminophenyl)methyl]-2-fluoroaniline;N-[(4-aminophenyl)methyl]-3-fluoroaniline;N-[(4-aminophenyl)methyl]-2,4,6-trifluoroaniline;4-[(4-tert-butylanilino)methyl]aniline;4-[(4-chloroanilino)methyl]aniline;N-[4-[(4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;hexakis(propane-2-sulfinate);4-[[4-(trifluoromethoxy)anilino]methyl]aniline
CID 159818953
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-ethylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-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-propylphenyl)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 159947807

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 158232012) is N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GEMLJZNUPDIGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H28N2O3S.C18H19F3N2O4S.C18H22N2O4S.C17H19ClN2O3S/c1-20(2,3)16-9-13-17(14-10-16)22-19(24)15-7-11-18(12-8-15)23-27(25,26)21(4,5)6;1-6-15(2)16-7-11-18(12-8-16)22-20(24)17-9-13-19(14-10-17)23-27(25,26)21(3,4)5;1-17(2,3)28(25,26)23-14-6-4-12(5-7-14)16(24)22-13-8-10-15(11-9-13)27-18(19,20)21;1-18(2,3)25(22,23)20-15-7-5-13(6-8-15)17(21)19-14-9-11-16(24-4)12-10-14;1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h7-14,23H,1-6H3,(H,22,24);7-15,23H,6H2,1-5H3,(H,22,24);4-11,23H,1-3H3,(H,22,24);5-12,20H,1-4H3,(H,19,21);4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide?
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 1922.81 g/mol, XLogP of 21.77, 24 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 158232012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).