N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide

C22H19N3O2S — CID 3207542

IUPACN-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1
InChIInChI=1S/C22H19N3O2S/c1-3-15-4-9-20-17(10-15)11-18(12-23)22(25-20)28-13-21(27)24-19-7-5-16(6-8-19)14(2)26/h4-11H,3,13H2,1-2H3,(H,24,27)
InChIKeyJITLWNNLPUDIBN-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.60
Rot. Bonds6

About N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide (PubChem CID 3207542) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide
PubChem CID3207542
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1
InChIInChI=1S/C22H19N3O2S/c1-3-15-4-9-20-17(10-15)11-18(12-23)22(25-20)28-13-21(27)24-19-7-5-16(6-8-19)14(2)26/h4-11H,3,13H2,1-2H3,(H,24,27)
InChIKeyJITLWNNLPUDIBN-UHFFFAOYSA-N
XLogP4.60
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 43811410
methyl 4-[[2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 43812149
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
N-(4-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283
6-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 3207581
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 609573
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 43812159
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 175299587
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542
benzyl 2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetate
CID 3207578

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide (CID 3207542) is N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide is CCc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is JITLWNNLPUDIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-3-15-4-9-20-17(10-15)11-18(12-23)22(25-20)28-13-21(27)24-19-7-5-16(6-8-19)14(2)26/h4-11H,3,13H2,1-2H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3207542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).