3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide

C16H16ClNO2S2 — CID 95778337

IUPAC3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
SMILESC[S@](=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S2/c1-22(20)15-8-4-13(5-9-15)18-16(19)10-11-21-14-6-2-12(17)3-7-14/h2-9H,10-11H2,1H3,(H,18,19)/t22-/m0/s1
InChIKeyDNXZUWKNWCVKJX-QFIPXVFZSA-N
MW353.90 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide (PubChem CID 95778337) has the molecular formula C16H16ClNO2S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
PubChem CID95778337
Molecular FormulaC16H16ClNO2S2
Molecular Weight353.90 g/mol
Exact Mass353.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
SMILESC[S@](=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2S2/c1-22(20)15-8-4-13(5-9-15)18-16(19)10-11-21-14-6-2-12(17)3-7-14/h2-9H,10-11H2,1H3,(H,18,19)/t22-/m0/s1
InChIKeyDNXZUWKNWCVKJX-QFIPXVFZSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
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3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43430717

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide (CID 95778337) is 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide is C[S@](=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide?
The InChIKey is DNXZUWKNWCVKJX-QFIPXVFZSA-N. The full InChI is InChI=1S/C16H16ClNO2S2/c1-22(20)15-8-4-13(5-9-15)18-16(19)10-11-21-14-6-2-12(17)3-7-14/h2-9H,10-11H2,1H3,(H,18,19)/t22-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide has a molecular weight of 353.90 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide is sourced from PubChem (CID 95778337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).