N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide

C21H19N3O2S — CID 7754877

IUPACN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2S/c1-26-19-10-5-4-9-18(19)24(14-6-13-22)21(25)15-27-20-12-11-16-7-2-3-8-17(16)23-20/h2-5,7-12H,6,14-15H2,1H3
InChIKeyILJWUBUNQCILOU-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.28
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide

N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7754877) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID7754877
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2S/c1-26-19-10-5-4-9-18(19)24(14-6-13-22)21(25)15-27-20-12-11-16-7-2-3-8-17(16)23-20/h2-5,7-12H,6,14-15H2,1H3
InChIKeyILJWUBUNQCILOU-UHFFFAOYSA-N
XLogP4.28
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 8786837
2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
CID 8513137
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895043
N-(2-cyanoethyl)-2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2311762
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8543225
N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2116332
N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
CID 51095132
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2161058
1-(2,4-dimethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 7755035
2-[[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253601
N-[(2-methoxyphenyl)methyl]-N-methyl-4-quinolin-2-ylsulfanylbutanamide
CID 46234651
2-quinolin-2-ylsulfanylacetamide
CID 2056006

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide (CID 7754877) is N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide is COc1ccccc1N(CCC#N)C(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is ILJWUBUNQCILOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-19-10-5-4-9-18(19)24(14-6-13-22)21(25)15-27-20-12-11-16-7-2-3-8-17(16)23-20/h2-5,7-12H,6,14-15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7754877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).