2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide

C24H25ClN2O3S — CID 126154684

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-19-10-8-9-18(3)24(19)26-23(28)16-27(20-14-13-17(2)22(25)15-20)31(29,30)21-11-6-5-7-12-21/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyYMBCWKFFKXREHY-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.35
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 126154684) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID126154684
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-19-10-8-9-18(3)24(19)26-23(28)16-27(20-14-13-17(2)22(25)15-20)31(29,30)21-11-6-5-7-12-21/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyYMBCWKFFKXREHY-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126116872
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-bromophenyl)acetamide
CID 30170255
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343741
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1337068
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882327
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 126154684) is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is YMBCWKFFKXREHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-4-19-10-8-9-18(3)24(19)26-23(28)16-27(20-14-13-17(2)22(25)15-20)31(29,30)21-11-6-5-7-12-21/h5-15H,4,16H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 457.00 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 126154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).