2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C16H17ClN2O3S2 — CID 1318151

IUPAC2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S2/c1-19(24(2,21)22)14-5-3-4-13(10-14)18-16(20)11-23-15-8-6-12(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFQXAIIHMBFCBIT-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.47
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1318151) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1318151
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S2/c1-19(24(2,21)22)14-5-3-4-13(10-14)18-16(20)11-23-15-8-6-12(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFQXAIIHMBFCBIT-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
CID 2818820
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 2963778
3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4213399
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2865612
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1318151) is 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is FQXAIIHMBFCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-19(24(2,21)22)14-5-3-4-13(10-14)18-16(20)11-23-15-8-6-12(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 384.91 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1318151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).