N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

C18H22N2O2S — CID 862401

IUPACN-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1
InChIInChI=1S/C18H22N2O2S/c1-12-9-13-10-15(22-2)7-8-16(13)20-18(12)23-11-17(21)19-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyRYGFYCRCJPWIMP-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.70
Rot. Bonds5

About N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 862401) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID862401
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1
InChIInChI=1S/C18H22N2O2S/c1-12-9-13-10-15(22-2)7-8-16(13)20-18(12)23-11-17(21)19-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyRYGFYCRCJPWIMP-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (CID 862401) is N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is COc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1.
What is the InChIKey of N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is RYGFYCRCJPWIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-9-13-10-15(22-2)7-8-16(13)20-18(12)23-11-17(21)19-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 330.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 862401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).