N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C18H13ClN4OS — CID 134025568

IUPACN-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C18H13ClN4OS/c1-11-18(23-15-5-3-2-4-14(15)21-11)25-10-17(24)22-16-8-13(19)7-6-12(16)9-20/h2-8H,10H2,1H3,(H,22,24)
InChIKeyFDJIENRZIIJGJX-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.19
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 134025568) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID134025568
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C18H13ClN4OS/c1-11-18(23-15-5-3-2-4-14(15)21-11)25-10-17(24)22-16-8-13(19)7-6-12(16)9-20/h2-8H,10H2,1H3,(H,22,24)
InChIKeyFDJIENRZIIJGJX-UHFFFAOYSA-N
XLogP4.19
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7755226
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N-(5-chloro-2-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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N-(5-chloro-2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
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N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1207078
N-(5-chloro-2-cyanophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830896
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(5-chloro-2-cyanophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
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CID 8722919
N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 78765671
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 134025568) is N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is FDJIENRZIIJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-11-18(23-15-5-3-2-4-14(15)21-11)25-10-17(24)22-16-8-13(19)7-6-12(16)9-20/h2-8H,10H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 368.85 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 134025568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).