N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C18H17N3O2S — CID 3361602

IUPACN-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-18(21-16-6-4-3-5-15(16)19-12)24-11-17(22)20-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyBDRQAMIDCOBEJV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.68
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 3361602) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID3361602
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-18(21-16-6-4-3-5-15(16)19-12)24-11-17(22)20-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyBDRQAMIDCOBEJV-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
N-(4-methoxyphenyl)-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53028769
N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 40558768
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-[[4,6-bis(2-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2027718
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 3361602) is N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is BDRQAMIDCOBEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-18(21-16-6-4-3-5-15(16)19-12)24-11-17(22)20-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3361602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).