N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide

C29H27ClN2O3S — CID 5094263

IUPACN,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H27ClN2O3S/c1-23-10-8-9-15-28(23)32(36(34,35)27-18-16-26(30)17-19-27)22-29(33)31(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-19H,20-22H2,1H3
InChIKeyYVAKSAGGNLFWAA-UHFFFAOYSA-N
MW519.07 g/mol
LogP6.07
Rot. Bonds9

About N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide

N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide (PubChem CID 5094263) has the molecular formula C29H27ClN2O3S and a molecular weight of 519.07 g/mol. Its IUPAC name is N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
PubChem CID5094263
Molecular FormulaC29H27ClN2O3S
Molecular Weight519.07 g/mol
Exact Mass518.14
IUPAC NameN,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H27ClN2O3S/c1-23-10-8-9-15-28(23)32(36(34,35)27-18-16-26(30)17-19-27)22-29(33)31(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-19H,20-22H2,1H3
InChIKeyYVAKSAGGNLFWAA-UHFFFAOYSA-N
XLogP6.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.07
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide 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-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N,N-dibenzylacetamide
CID 30170000
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 38009566
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
(2R)-2-[(4-chlorophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 125070973
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
N,N-dibenzyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891681
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132686651
(2R)-2-[benzyl-[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125061462
2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132645318
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
CID 46770900
N-butan-2-yl-2-[(4-chlorophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]butanamide
CID 132751279
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 125110324

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide?
The IUPAC name of N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide (CID 5094263) is N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide is Cc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide?
The InChIKey is YVAKSAGGNLFWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O3S/c1-23-10-8-9-15-28(23)32(36(34,35)27-18-16-26(30)17-19-27)22-29(33)31(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-19H,20-22H2,1H3.
What are the key properties of N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide?
N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide has a molecular weight of 519.07 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide is sourced from PubChem (CID 5094263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).