2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C26H29ClN2O3S — CID 133217751

IUPAC2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cc(C)c(C)cc2C)c2ccccc2Cl)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-17-10-12-22(13-11-17)33(31,32)29(25-9-7-6-8-24(25)27)16-26(30)28-21(5)23-15-19(3)18(2)14-20(23)4/h6-15,21H,16H2,1-5H3,(H,28,30)
InChIKeyVYNIOKBYFHKGHP-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.65
Rot. Bonds7

About 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 133217751) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID133217751
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC Name2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cc(C)c(C)cc2C)c2ccccc2Cl)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-17-10-12-22(13-11-17)33(31,32)29(25-9-7-6-8-24(25)27)16-26(30)28-21(5)23-15-19(3)18(2)14-20(23)4/h6-15,21H,16H2,1-5H3,(H,28,30)
InChIKeyVYNIOKBYFHKGHP-UHFFFAOYSA-N
XLogP5.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]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-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28578106
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217749
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894902
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217702
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219526
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30251011
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43893986
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306397
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 4038920
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217826
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078051
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30212055

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 133217751) is 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cc(C)c(C)cc2C)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is VYNIOKBYFHKGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-17-10-12-22(13-11-17)33(31,32)29(25-9-7-6-8-24(25)27)16-26(30)28-21(5)23-15-19(3)18(2)14-20(23)4/h6-15,21H,16H2,1-5H3,(H,28,30).
What are the key properties of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 485.05 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 133217751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).