2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C25H27ClN2O4S2 — CID 126178427

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O4S2/c1-3-32-24-7-5-4-6-23(24)28(34(30,31)22-14-10-20(26)11-15-22)18-25(29)27-16-17-33-21-12-8-19(2)9-13-21/h4-15H,3,16-18H2,1-2H3,(H,27,29)
InChIKeyIOLBSGKXCRQCKO-UHFFFAOYSA-N
MW519.09 g/mol
LogP5.15
Rot. Bonds11

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 126178427) has the molecular formula C25H27ClN2O4S2 and a molecular weight of 519.09 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID126178427
Molecular FormulaC25H27ClN2O4S2
Molecular Weight519.09 g/mol
Exact Mass518.11
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O4S2/c1-3-32-24-7-5-4-6-23(24)28(34(30,31)22-14-10-20(26)11-15-22)18-25(29)27-16-17-33-21-12-8-19(2)9-13-21/h4-15H,3,16-18H2,1-2H3,(H,27,29)
InChIKeyIOLBSGKXCRQCKO-UHFFFAOYSA-N
XLogP5.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.09
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43898903
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51343405
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4694822
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126337667
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344954
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126175196
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 4001099
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344397
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3552584
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51343907
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 126178427) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is CCOc1ccccc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is IOLBSGKXCRQCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S2/c1-3-32-24-7-5-4-6-23(24)28(34(30,31)22-14-10-20(26)11-15-22)18-25(29)27-16-17-33-21-12-8-19(2)9-13-21/h4-15H,3,16-18H2,1-2H3,(H,27,29).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 519.09 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 126178427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).