2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide

C19H23ClN2O3S — CID 113155019

IUPAC2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(c2c(C)cc(C)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-6-5-7-16(9-13)11-21-18(23)12-22(26(4,24)25)19-15(3)8-14(2)10-17(19)20/h5-10H,11-12H2,1-4H3,(H,21,23)
InChIKeyPKKQRDSGKOJKLJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.35
Rot. Bonds6

About 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113155019) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113155019
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(c2c(C)cc(C)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-6-5-7-16(9-13)11-21-18(23)12-22(26(4,24)25)19-15(3)8-14(2)10-17(19)20/h5-10H,11-12H2,1-4H3,(H,21,23)
InChIKeyPKKQRDSGKOJKLJ-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]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-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
N-[(3-methylphenyl)methyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794524
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30302324
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100795291
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113155010
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 113155019) is 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(c2c(C)cc(C)cc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is PKKQRDSGKOJKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-6-5-7-16(9-13)11-21-18(23)12-22(26(4,24)25)19-15(3)8-14(2)10-17(19)20/h5-10H,11-12H2,1-4H3,(H,21,23).
What are the key properties of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).