2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide

C14H13ClN2OS — CID 27700031

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccncc1
InChIInChI=1S/C14H13ClN2OS/c15-12-3-1-2-11(8-12)9-19-10-14(18)17-13-4-6-16-7-5-13/h1-8H,9-10H2,(H,16,17,18)
InChIKeyQYUKMBBOWHHCQX-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.61
Rot. Bonds5

About 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide (PubChem CID 27700031) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
PubChem CID27700031
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccncc1
InChIInChI=1S/C14H13ClN2OS/c15-12-3-1-2-11(8-12)9-19-10-14(18)17-13-4-6-16-7-5-13/h1-8H,9-10H2,(H,16,17,18)
InChIKeyQYUKMBBOWHHCQX-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219362

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide (CID 27700031) is 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide is O=C(CSCc1cccc(Cl)c1)Nc1ccncc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
The InChIKey is QYUKMBBOWHHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-3-1-2-11(8-12)9-19-10-14(18)17-13-4-6-16-7-5-13/h1-8H,9-10H2,(H,16,17,18).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide has a molecular weight of 292.79 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 27700031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).