2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide

C14H13ClN2OS — CID 47138508

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1ncccc1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2OS/c1-17(11-6-3-2-4-7-11)13(18)10-19-14-12(15)8-5-9-16-14/h2-9H,10H2,1H3
InChIKeyWBGDWMQXENFVAV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.49
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 47138508) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID47138508
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1ncccc1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2OS/c1-17(11-6-3-2-4-7-11)13(18)10-19-14-12(15)8-5-9-16-14/h2-9H,10H2,1H3
InChIKeyWBGDWMQXENFVAV-UHFFFAOYSA-N
XLogP3.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 47138557
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 47143139
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628
N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 43377226
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905098
2-benzylsulfanyl-3-chloropyridine;formic acid
CID 174946739
2-[[5-[1-(2-chlorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 43884479
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
N-methyl-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-phenylacetamide
CID 4652527

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide (CID 47138508) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide is CN(C(=O)CSc1ncccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is WBGDWMQXENFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-17(11-6-3-2-4-7-11)13(18)10-19-14-12(15)8-5-9-16-14/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 292.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 47138508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).