2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide

C28H26ClN3O6S2 — CID 126190753

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H26ClN3O6S2/c1-2-38-27-11-7-6-10-26(27)32(40(36,37)25-16-12-21(29)13-17-25)20-28(33)30-22-14-18-24(19-15-22)39(34,35)31-23-8-4-3-5-9-23/h3-19,31H,2,20H2,1H3,(H,30,33)
InChIKeyYONMRDZORZIQOR-UHFFFAOYSA-N
MW600.12 g/mol
LogP5.37
Rot. Bonds11

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide (PubChem CID 126190753) has the molecular formula C28H26ClN3O6S2 and a molecular weight of 600.12 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
PubChem CID126190753
Molecular FormulaC28H26ClN3O6S2
Molecular Weight600.12 g/mol
Exact Mass599.10
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H26ClN3O6S2/c1-2-38-27-11-7-6-10-26(27)32(40(36,37)25-16-12-21(29)13-17-25)20-28(33)30-22-14-18-24(19-15-22)39(34,35)31-23-8-4-3-5-9-23/h3-19,31H,2,20H2,1H3,(H,30,33)
InChIKeyYONMRDZORZIQOR-UHFFFAOYSA-N
XLogP5.37
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.12
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 4155954
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126186135
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502510
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882414
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43916333

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide (CID 126190753) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The InChIKey is YONMRDZORZIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O6S2/c1-2-38-27-11-7-6-10-26(27)32(40(36,37)25-16-12-21(29)13-17-25)20-28(33)30-22-14-18-24(19-15-22)39(34,35)31-23-8-4-3-5-9-23/h3-19,31H,2,20H2,1H3,(H,30,33).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide has a molecular weight of 600.12 g/mol, XLogP of 5.37, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 126190753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).