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

C23H22Cl2N2O3S2 — CID 4694822

IUPAC2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O3S2/c1-17-10-12-19(13-11-17)32(29,30)27(21-9-5-8-20(24)23(21)25)16-22(28)26-14-15-31-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,26,28)
InChIKeyCGIDAPNQYCMROG-UHFFFAOYSA-N
MW509.48 g/mol
LogP5.41
Rot. Bonds9

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

2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 4694822) has the molecular formula C23H22Cl2N2O3S2 and a molecular weight of 509.48 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID4694822
Molecular FormulaC23H22Cl2N2O3S2
Molecular Weight509.48 g/mol
Exact Mass508.04
IUPAC Name2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O3S2/c1-17-10-12-19(13-11-17)32(29,30)27(21-9-5-8-20(24)23(21)25)16-22(28)26-14-15-31-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,26,28)
InChIKeyCGIDAPNQYCMROG-UHFFFAOYSA-N
XLogP5.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51343907
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344397
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 126178427
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344104
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51343725
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)acetamide
CID 51344306
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344439
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (CID 4694822) is 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is CGIDAPNQYCMROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S2/c1-17-10-12-19(13-11-17)32(29,30)27(21-9-5-8-20(24)23(21)25)16-22(28)26-14-15-31-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,26,28).
What are the key properties of 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 509.48 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 4694822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).