N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide

C14H13ClN2O2S — CID 47152631

IUPACN-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C14H13ClN2O2S/c1-19-11-3-2-4-12(7-11)20-9-14(18)17-13-6-5-10(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyKTDOGOJJIYUVMU-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.47
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 47152631) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID47152631
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C14H13ClN2O2S/c1-19-11-3-2-4-12(7-11)20-9-14(18)17-13-6-5-10(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18)
InChIKeyKTDOGOJJIYUVMU-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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Related Compounds

N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19298990
2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912590
3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913238
N-(5-chloro-2-pyridinyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4818018
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 35041428
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 47152631) is N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is KTDOGOJJIYUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-11-3-2-4-12(7-11)20-9-14(18)17-13-6-5-10(15)8-16-13/h2-8H,9H2,1H3,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide 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-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 47152631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).