2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C14H13ClN2OS — CID 800497

IUPAC2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C14H13ClN2OS/c15-11-4-6-13(7-5-11)19-10-14(18)17-9-12-3-1-2-8-16-12/h1-8H,9-10H2,(H,17,18)
InChIKeyBHMAMSSLSRQMBJ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 800497) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID800497
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C14H13ClN2OS/c15-11-4-6-13(7-5-11)19-10-14(18)17-9-12-3-1-2-8-16-12/h1-8H,9-10H2,(H,17,18)
InChIKeyBHMAMSSLSRQMBJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 800497) is 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1ccc(Cl)cc1)NCc1ccccn1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BHMAMSSLSRQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-11-4-6-13(7-5-11)19-10-14(18)17-9-12-3-1-2-8-16-12/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 292.79 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 800497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).