2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C20H17ClN2OS — CID 46521113

IUPAC2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H17ClN2OS/c21-17-5-3-15(4-6-17)12-20(24)23-18-7-9-19(10-8-18)25-14-16-2-1-11-22-13-16/h1-11,13H,12,14H2,(H,23,24)
InChIKeyYULBGGLGZBGDGL-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.21
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 46521113) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID46521113
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H17ClN2OS/c21-17-5-3-15(4-6-17)12-20(24)23-18-7-9-19(10-8-18)25-14-16-2-1-11-22-13-16/h1-11,13H,12,14H2,(H,23,24)
InChIKeyYULBGGLGZBGDGL-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-1-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-pyridin-3-ylethanone
CID 76321102
N-(3-chloro-2-pyridinyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 3915320
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide
CID 4170622
1-[4-(8-Chloro-11H-10-thia-4-aza-dibenzo[a,d]cyclohepten-5-ylidene)-piperidin-1-yl]-2-piperidin-4-yl-ethanone
CID 9933648
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
CID 18378796
N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
CID 18378797
N-(4-(2-chlorobenzylsulfonyl)phenyl)picolinamide
CID 49865452
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfanylbenzamide
CID 70694584
N-[3-chloro-4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285807
2-(4-Chloro-phenyl)-N-pyridin-3-yl-acetamide
CID 814726
N1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-(2-pyridylthio)acetamide
CID 2726087

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 46521113) is 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is YULBGGLGZBGDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-17-5-3-15(4-6-17)12-20(24)23-18-7-9-19(10-8-18)25-14-16-2-1-11-22-13-16/h1-11,13H,12,14H2,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 368.89 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 46521113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).