2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide

C24H25ClN2O3S — CID 43909813

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCc1cc(C)cc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25ClN2O3S/c1-18-13-19(2)15-22(14-18)27(31(29,30)23-7-5-4-6-8-23)17-24(28)26(3)16-20-9-11-21(25)12-10-20/h4-15H,16-17H2,1-3H3
InChIKeySDIUSLXWYKGEML-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.81
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 43909813) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
PubChem CID43909813
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCc1cc(C)cc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25ClN2O3S/c1-18-13-19(2)15-22(14-18)27(31(29,30)23-7-5-4-6-8-23)17-24(28)26(3)16-20-9-11-21(25)12-10-20/h4-15H,16-17H2,1-3H3
InChIKeySDIUSLXWYKGEML-UHFFFAOYSA-N
XLogP4.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 30380361
N-[(4-chlorophenyl)methyl]-N-methyl-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 46763476
N-[(4-chlorophenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-methylacetamide
CID 99957537
(2S)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100677549
N-[(4-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-methylacetamide
CID 92676638
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 30304869
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide
CID 30170212
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 38009566
N-[(4-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-methylacetamide
CID 30397568
(2S)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125086452

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide (CID 43909813) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide is Cc1cc(C)cc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is SDIUSLXWYKGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-13-19(2)15-22(14-18)27(31(29,30)23-7-5-4-6-8-23)17-24(28)26(3)16-20-9-11-21(25)12-10-20/h4-15H,16-17H2,1-3H3.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 457.00 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 43909813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).