2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide

C15H21ClN2OS — CID 47143139

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1ncccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2OS/c1-2-18(12-7-4-3-5-8-12)14(19)11-20-15-13(16)9-6-10-17-15/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyZQDXJFBICQBGGO-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.01
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide (PubChem CID 47143139) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
PubChem CID47143139
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1ncccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2OS/c1-2-18(12-7-4-3-5-8-12)14(19)11-20-15-13(16)9-6-10-17-15/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyZQDXJFBICQBGGO-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341621
N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
CID 2342406
3-(3-Chlorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3239346
1-(4-Chlorophenyl)-4-[(2-pyridinylthio)acetyl]piperazine
CID 977376
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 1085916
N-cyclohexyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341542
N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide
CID 2343430
2-[(2-chlorobenzyl)thio]-N-[2-(pyridin-2-ylthio)ethyl]acetamide
CID 4453669
2-(3-Chloro-pyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 24900571
1-(4-Phenylpiperazin-1-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 891632
1-(3-Chlorophenyl)-4-[(2-pyridinylthio)acetyl]piperazine
CID 2197758
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7376533

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide (CID 47143139) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CSc1ncccc1Cl)C1CCCCC1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The InChIKey is ZQDXJFBICQBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-2-18(12-7-4-3-5-8-12)14(19)11-20-15-13(16)9-6-10-17-15/h6,9-10,12H,2-5,7-8,11H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide has a molecular weight of 312.87 g/mol, XLogP of 4.01, 5 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-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 47143139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).