N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide

C19H24N2OS — CID 2409158

IUPACN-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ccc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C19H24N2OS/c1-2-21(16-9-4-3-5-10-16)19(22)14-23-18-13-12-15-8-6-7-11-17(15)20-18/h6-8,11-13,16H,2-5,9-10,14H2,1H3
InChIKeyNNIWPJNXMMKHMN-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.51
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide

N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide (PubChem CID 2409158) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
PubChem CID2409158
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ccc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C19H24N2OS/c1-2-21(16-9-4-3-5-10-16)19(22)14-23-18-13-12-15-8-6-7-11-17(15)20-18/h6-8,11-13,16H,2-5,9-10,14H2,1H3
InChIKeyNNIWPJNXMMKHMN-UHFFFAOYSA-N
XLogP4.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide (CID 2409158) is N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide is CCN(C(=O)CSc1ccc2ccccc2n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is NNIWPJNXMMKHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-21(16-9-4-3-5-10-16)19(22)14-23-18-13-12-15-8-6-7-11-17(15)20-18/h6-8,11-13,16H,2-5,9-10,14H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide?
N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 328.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 2409158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).