2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide

C24H26N2O3S — CID 1129961

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-24(2,3)25-23(27)21-16-10-11-17-22(21)26(18-19-12-6-4-7-13-19)30(28,29)20-14-8-5-9-15-20/h4-17H,18H2,1-3H3,(H,25,27)
InChIKeyYFUBHCIDJZVSIN-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.61
Rot. Bonds6

About 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide

2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide (PubChem CID 1129961) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
PubChem CID1129961
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-24(2,3)25-23(27)21-16-10-11-17-22(21)26(18-19-12-6-4-7-13-19)30(28,29)20-14-8-5-9-15-20/h4-17H,18H2,1-3H3,(H,25,27)
InChIKeyYFUBHCIDJZVSIN-UHFFFAOYSA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide 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

2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
CID 2271284
2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126139068
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94015821
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133165070

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide (CID 1129961) is 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide?
The InChIKey is YFUBHCIDJZVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-24(2,3)25-23(27)21-16-10-11-17-22(21)26(18-19-12-6-4-7-13-19)30(28,29)20-14-8-5-9-15-20/h4-17H,18H2,1-3H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide?
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide is sourced from PubChem (CID 1129961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).