2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide

C23H23ClN2O3S2 — CID 2910654

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3ccc(Cl)cc3)cc2)c(C)c1
InChIInChI=1S/C23H23ClN2O3S2/c1-15-4-13-22(16(2)14-15)26-31(28,29)21-11-7-19(8-12-21)25-23(27)17(3)30-20-9-5-18(24)6-10-20/h4-14,17,26H,1-3H3,(H,25,27)
InChIKeyHLDFWPIEUAKEQL-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.88
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 2910654) has the molecular formula C23H23ClN2O3S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID2910654
Molecular FormulaC23H23ClN2O3S2
Molecular Weight475.04 g/mol
Exact Mass474.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3ccc(Cl)cc3)cc2)c(C)c1
InChIInChI=1S/C23H23ClN2O3S2/c1-15-4-13-22(16(2)14-15)26-31(28,29)21-11-7-19(8-12-21)25-23(27)17(3)30-20-9-5-18(24)6-10-20/h4-14,17,26H,1-3H3,(H,25,27)
InChIKeyHLDFWPIEUAKEQL-UHFFFAOYSA-N
XLogP5.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

S-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl] N-methyl-N-(2,4,6-trimethylphenyl)carbamothioate
CID 11662500
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
2-[(4-chlorophenyl)thio]-N-(4-{[(2,5-dimethylphenyl)amino]sulfonyl}phenyl)acetamide
CID 1276097
2-[(4-chlorophenyl)thio]-N-(4-{[(2,4-dimethylphenyl)amino]sulfonyl}phenyl)acetamide
CID 1312948
N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide
CID 2176580
N-2-biphenylyl-2-[(4-chlorophenyl)thio]propanamide
CID 2942743
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-[4-(3-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 155521467
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819361
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 15989038
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 1327534

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide (CID 2910654) is 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3ccc(Cl)cc3)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is HLDFWPIEUAKEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S2/c1-15-4-13-22(16(2)14-15)26-31(28,29)21-11-7-19(8-12-21)25-23(27)17(3)30-20-9-5-18(24)6-10-20/h4-14,17,26H,1-3H3,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 475.04 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 2910654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).