2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide

C23H22Cl2N2O4S — CID 30171999

IUPAC2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-3-31-21-8-6-19(7-9-21)26-23(28)15-27(20-13-17(24)12-18(25)14-20)32(29,30)22-10-4-16(2)5-11-22/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyMZRDLGUBMWJFBV-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.53
Rot. Bonds8

About 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide (PubChem CID 30171999) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
PubChem CID30171999
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-3-31-21-8-6-19(7-9-21)26-23(28)15-27(20-13-17(24)12-18(25)14-20)32(29,30)22-10-4-16(2)5-11-22/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyMZRDLGUBMWJFBV-UHFFFAOYSA-N
XLogP5.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 126032259
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 30172422
N-(3-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1351168
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
N-(4-bromo-3-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126256629
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 51344975
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(3,5-dichlorophenyl)acetamide
CID 30169668
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide (CID 30171999) is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is MZRDLGUBMWJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-3-31-21-8-6-19(7-9-21)26-23(28)15-27(20-13-17(24)12-18(25)14-20)32(29,30)22-10-4-16(2)5-11-22/h4-14H,3,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 493.41 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 30171999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).