N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide

C17H20N2OS — CID 860331

IUPACN-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2ccccc2nc1SCC(=O)NC1CCCC1
InChIInChI=1S/C17H20N2OS/c1-12-10-13-6-2-5-9-15(13)19-17(12)21-11-16(20)18-14-7-3-4-8-14/h2,5-6,9-10,14H,3-4,7-8,11H2,1H3,(H,18,20)
InChIKeyKSNHAYPXAFVAKO-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 860331) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID860331
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2ccccc2nc1SCC(=O)NC1CCCC1
InChIInChI=1S/C17H20N2OS/c1-12-10-13-6-2-5-9-15(13)19-17(12)21-11-16(20)18-14-7-3-4-8-14/h2,5-6,9-10,14H,3-4,7-8,11H2,1H3,(H,18,20)
InChIKeyKSNHAYPXAFVAKO-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
CID 865629
N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
CID 860340
N-cyclohexyl-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1374032
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325052
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 6618537
2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
CID 35177453
N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781324
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
N-cycloheptyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977665

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide (CID 860331) is N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide is Cc1cc2ccccc2nc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is KSNHAYPXAFVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-10-13-6-2-5-9-15(13)19-17(12)21-11-16(20)18-14-7-3-4-8-14/h2,5-6,9-10,14H,3-4,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 860331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).