N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

C28H26N2O3S — CID 28576591

IUPACN-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc([C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-20-11-15-23(16-12-20)27(22-7-4-3-5-8-22)29-28(31)24-9-6-10-25(19-24)30-34(32,33)26-17-13-21(2)14-18-26/h3-19,27,30H,1-2H3,(H,29,31)/t27-/m1/s1
InChIKeyKBHHIWMBFRHMEW-HHHXNRCGSA-N
MW470.59 g/mol
LogP5.62
Rot. Bonds7

About N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 28576591) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID28576591
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc([C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-20-11-15-23(16-12-20)27(22-7-4-3-5-8-22)29-28(31)24-9-6-10-25(19-24)30-34(32,33)26-17-13-21(2)14-18-26/h3-19,27,30H,1-2H3,(H,29,31)/t27-/m1/s1
InChIKeyKBHHIWMBFRHMEW-HHHXNRCGSA-N
XLogP5.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]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

3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 30390651
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 28576591) is N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc([C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is KBHHIWMBFRHMEW-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-20-11-15-23(16-12-20)27(22-7-4-3-5-8-22)29-28(31)24-9-6-10-25(19-24)30-34(32,33)26-17-13-21(2)14-18-26/h3-19,27,30H,1-2H3,(H,29,31)/t27-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 470.59 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 28576591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).