N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide

C14H13ClN2OS — CID 670684

IUPACN-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccn2)cc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-10-5-6-11(8-12(10)15)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyBQVAQOUSAUIQSV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.77
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 670684) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID670684
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccn2)cc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-10-5-6-11(8-12(10)15)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyBQVAQOUSAUIQSV-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 670684) is N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is BQVAQOUSAUIQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-10-5-6-11(8-12(10)15)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 292.79 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 670684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).