2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

C21H19N3O2S — CID 1450481

IUPAC2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1
InChIInChI=1S/C21H19N3O2S/c1-13-6-14(2)8-17(7-13)23-20(25)12-27-21-16(11-22)9-15-4-5-18(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
InChIKeyJSEXTTOLAYGDCW-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 1450481) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID1450481
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1
InChIInChI=1S/C21H19N3O2S/c1-13-6-14(2)8-17(7-13)23-20(25)12-27-21-16(11-22)9-15-4-5-18(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
InChIKeyJSEXTTOLAYGDCW-UHFFFAOYSA-N
XLogP4.46
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450389
methyl 2-[[2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374306
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3207784
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3138422
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 43812559
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 43811402
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1450449
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 689230

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 1450481) is 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1.
What is the InChIKey of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is JSEXTTOLAYGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-6-14(2)8-17(7-13)23-20(25)12-27-21-16(11-22)9-15-4-5-18(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1450481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).