N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide

C19H24N2OS — CID 864216

IUPACN-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2cccc(C)c2nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C19H24N2OS/c1-13-7-6-8-15-11-14(2)19(21-18(13)15)23-12-17(22)20-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,20,22)
InChIKeyPKPGIXDIDUVKDQ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.39
Rot. Bonds4

About N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 864216) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID864216
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2cccc(C)c2nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C19H24N2OS/c1-13-7-6-8-15-11-14(2)19(21-18(13)15)23-12-17(22)20-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,20,22)
InChIKeyPKPGIXDIDUVKDQ-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide (CID 864216) is N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide is Cc1cc2cccc(C)c2nc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is PKPGIXDIDUVKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-7-6-8-15-11-14(2)19(21-18(13)15)23-12-17(22)20-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 328.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 864216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).