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

C22H21ClN2O3S2 — CID 1312948

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c(C)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-15-3-12-21(16(2)13-15)25-30(27,28)20-10-6-18(7-11-20)24-22(26)14-29-19-8-4-17(23)5-9-19/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyQVSVQUXMEVMNKY-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.49
Rot. Bonds7

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

2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 1312948) has the molecular formula C22H21ClN2O3S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID1312948
Molecular FormulaC22H21ClN2O3S2
Molecular Weight461.01 g/mol
Exact Mass460.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c(C)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-15-3-12-21(16(2)13-15)25-30(27,28)20-10-6-18(7-11-20)24-22(26)14-29-19-8-4-17(23)5-9-19/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyQVSVQUXMEVMNKY-UHFFFAOYSA-N
XLogP5.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.49
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
2-[(4-chlorophenyl)thio]-N-(4-{[(2,5-dimethylphenyl)amino]sulfonyl}phenyl)acetamide
CID 1276097
N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide
CID 2176580
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 2910654
N-2-biphenylyl-2-[(4-chlorophenyl)thio]propanamide
CID 2942743
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
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-[2-(4-Chloro-phenyl)-thiazolidine-3-sulfonyl]-phenyl}-acetamide
CID 654431
N-{4-[2-(2-Chloro-phenyl)-thiazolidine-3-sulfonyl]-phenyl}-acetamide
CID 656155
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]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 1312948) is 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QVSVQUXMEVMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S2/c1-15-3-12-21(16(2)13-15)25-30(27,28)20-10-6-18(7-11-20)24-22(26)14-29-19-8-4-17(23)5-9-19/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 461.01 g/mol, XLogP of 5.49, 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]acetamide is sourced from PubChem (CID 1312948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).