N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide

C19H24N2OS — CID 2097612

IUPACN-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N(C)C2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H24N2OS/c1-14-12-18(20-17-11-7-6-10-16(14)17)23-13-19(22)21(2)15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9,13H2,1-2H3
InChIKeyCYEUWDPMOBVNTQ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.43
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2097612) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2097612
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N(C)C2CCCCC2)nc2ccccc12
InChIInChI=1S/C19H24N2OS/c1-14-12-18(20-17-11-7-6-10-16(14)17)23-13-19(22)21(2)15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9,13H2,1-2H3
InChIKeyCYEUWDPMOBVNTQ-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid
CID 753840
Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-
CID 2939635
N-Cyclohexyl-2-(3,8-dimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 864216
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1433832
N-cyclopropyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2100636
N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
CID 2409158
N-Cyclopentyl-2-(3-ethyl-6-methyl-quinolin-2-ylsulfanyl)-acetamide
CID 3207992
1-[2-(4,8-Dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7743611
3-((4,8-Dimethylquinolin-2-yl)thio)propanoic acid
CID 744542
1-(4-Methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
CID 935829

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2097612) is N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)N(C)C2CCCCC2)nc2ccccc12.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CYEUWDPMOBVNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14-12-18(20-17-11-7-6-10-16(14)17)23-13-19(22)21(2)15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 328.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2097612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).