N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

C14H13ClN2O2S — CID 670591

IUPACN-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1ccccn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-6-5-10(15)8-11(12)17-13(18)9-20-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCZFWJMMMMHDSMO-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.47
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 670591) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID670591
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1ccccn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-6-5-10(15)8-11(12)17-13(18)9-20-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCZFWJMMMMHDSMO-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 670591) is N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1ccccn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CZFWJMMMMHDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-12-6-5-10(15)8-11(12)17-13(18)9-20-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 308.79 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 670591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).