N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

C19H24N2O2S — CID 2085552

IUPACN-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NC3CCCCC3)nc2c1
InChIInChI=1S/C19H24N2O2S/c1-13-10-19(21-17-11-15(23-2)8-9-16(13)17)24-12-18(22)20-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyNMWIDEDNLSAKKK-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.09
Rot. Bonds5

About N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2085552) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2085552
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NC3CCCCC3)nc2c1
InChIInChI=1S/C19H24N2O2S/c1-13-10-19(21-17-11-15(23-2)8-9-16(13)17)24-12-18(22)20-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyNMWIDEDNLSAKKK-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (CID 2085552) is N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is COc1ccc2c(C)cc(SCC(=O)NC3CCCCC3)nc2c1.
What is the InChIKey of N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is NMWIDEDNLSAKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-10-19(21-17-11-15(23-2)8-9-16(13)17)24-12-18(22)20-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 344.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2085552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).