2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide

C30H30ClN3O8S2 — CID 126186135

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H30ClN3O8S2/c1-4-42-28-8-6-5-7-27(28)34(44(38,39)25-14-9-21(31)10-15-25)20-30(35)32-22-11-16-24(17-12-22)43(36,37)33-26-18-13-23(40-2)19-29(26)41-3/h5-19,33H,4,20H2,1-3H3,(H,32,35)
InChIKeyOSXBHVZYWKEJDF-UHFFFAOYSA-N
MW660.17 g/mol
LogP5.39
Rot. Bonds13

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 126186135) has the molecular formula C30H30ClN3O8S2 and a molecular weight of 660.17 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID126186135
Molecular FormulaC30H30ClN3O8S2
Molecular Weight660.17 g/mol
Exact Mass659.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H30ClN3O8S2/c1-4-42-28-8-6-5-7-27(28)34(44(38,39)25-14-9-21(31)10-15-25)20-30(35)32-22-11-16-24(17-12-22)43(36,37)33-26-18-13-23(40-2)19-29(26)41-3/h5-19,33H,4,20H2,1-3H3,(H,32,35)
InChIKeyOSXBHVZYWKEJDF-UHFFFAOYSA-N
XLogP5.39
TPSA140.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.17
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 29284468
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126413803
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 4155954
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881498
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 126186135) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is OSXBHVZYWKEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O8S2/c1-4-42-28-8-6-5-7-27(28)34(44(38,39)25-14-9-21(31)10-15-25)20-30(35)32-22-11-16-24(17-12-22)43(36,37)33-26-18-13-23(40-2)19-29(26)41-3/h5-19,33H,4,20H2,1-3H3,(H,32,35).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 660.17 g/mol, XLogP of 5.39, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 126186135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).