2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide

C22H22ClN3O3S — CID 1006683

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H22ClN3O3S/c1-16-3-6-20(13-17(16)2)26(30(28,29)21-7-4-19(23)5-8-21)15-22(27)25-14-18-9-11-24-12-10-18/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyJWWFFADOVHOPOT-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.86
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1006683) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1006683
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H22ClN3O3S/c1-16-3-6-20(13-17(16)2)26(30(28,29)21-7-4-19(23)5-8-21)15-22(27)25-14-18-9-11-24-12-10-18/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyJWWFFADOVHOPOT-UHFFFAOYSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)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-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
CID 126143705
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 1129567
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-propan-2-ylacetamide
CID 126142567
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51343966
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249802
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 2198538

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 1006683) is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is JWWFFADOVHOPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-16-3-6-20(13-17(16)2)26(30(28,29)21-7-4-19(23)5-8-21)15-22(27)25-14-18-9-11-24-12-10-18/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 443.96 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1006683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).