4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide

C28H26N2O3S — CID 43909814

IUPAC4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-20-13-16-23(17-14-20)27(22-9-5-3-6-10-22)29-28(31)24-18-15-21(2)26(19-24)34(32,33)30-25-11-7-4-8-12-25/h3-19,27,30H,1-2H3,(H,29,31)
InChIKeyWARXKFFHJBGNLB-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.62
Rot. Bonds7

About 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide

4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 43909814) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
PubChem CID43909814
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-20-13-16-23(17-14-20)27(22-9-5-3-6-10-22)29-28(31)24-18-15-21(2)26(19-24)34(32,33)30-25-11-7-4-8-12-25/h3-19,27,30H,1-2H3,(H,29,31)
InChIKeyWARXKFFHJBGNLB-UHFFFAOYSA-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 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)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-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78841975
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide (CID 43909814) is 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide is Cc1ccc(C(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is WARXKFFHJBGNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-20-13-16-23(17-14-20)27(22-9-5-3-6-10-22)29-28(31)24-18-15-21(2)26(19-24)34(32,33)30-25-11-7-4-8-12-25/h3-19,27,30H,1-2H3,(H,29,31).
What are the key properties of 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide?
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)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 4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 43909814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).