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

C18H22N2OS — CID 860326

IUPACN-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2ccccc2nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C18H22N2OS/c1-13-11-14-7-5-6-10-16(14)20-18(13)22-12-17(21)19-15-8-3-2-4-9-15/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,19,21)
InChIKeyLCABDUOYOUSWKG-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.08
Rot. Bonds4

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

N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 860326) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID860326
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2ccccc2nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C18H22N2OS/c1-13-11-14-7-5-6-10-16(14)20-18(13)22-12-17(21)19-15-8-3-2-4-9-15/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,19,21)
InChIKeyLCABDUOYOUSWKG-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]acetamide
CID 11489952
N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-N-[3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]acetamide
CID 11753218
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
5-(1,2-dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide
CID 11316712
5-(1,2-dithiolan-3-yl)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pentanamide
CID 11352229
5-(1,2-dithiolan-3-yl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pentanamide
CID 11385572
5-(1,2-dithiolan-3-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]pentanamide
CID 11752376
5-(1,2-dithiolan-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]pentanamide
CID 23645223
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide (CID 860326) is N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide is Cc1cc2ccccc2nc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is LCABDUOYOUSWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-11-14-7-5-6-10-16(14)20-18(13)22-12-17(21)19-15-8-3-2-4-9-15/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 314.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 860326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).