2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide

C24H25ClN2O4S — CID 1363105

IUPAC2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-31-21-12-10-20(11-13-21)27(32(29,30)22-14-8-19(25)9-15-22)16-23(28)26-24-17(2)6-5-7-18(24)3/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyLCQOMBYZTPPWOX-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.19
Rot. Bonds8

About 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1363105) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID1363105
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-31-21-12-10-20(11-13-21)27(32(29,30)22-14-8-19(25)9-15-22)16-23(28)26-24-17(2)6-5-7-18(24)3/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyLCQOMBYZTPPWOX-UHFFFAOYSA-N
XLogP5.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 51345158
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1362950
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,5-dichlorophenyl)acetamide
CID 21371868
N-(3-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1351168
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-propan-2-ylacetamide
CID 3130619
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-pentan-3-ylacetamide
CID 53279171

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide (CID 1363105) is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is LCQOMBYZTPPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-4-31-21-12-10-20(11-13-21)27(32(29,30)22-14-8-19(25)9-15-22)16-23(28)26-24-17(2)6-5-7-18(24)3/h5-15H,4,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 472.99 g/mol, XLogP of 5.19, 8 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-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1363105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).