4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide

C24H21N3O2S — CID 46395223

IUPAC4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCCn1c(=O)c(-c2ccc(C(=O)Nc3cccc(SC)c3)cc2)nc2ccccc21
InChIInChI=1S/C24H21N3O2S/c1-3-27-21-10-5-4-9-20(21)26-22(24(27)29)16-11-13-17(14-12-16)23(28)25-18-7-6-8-19(15-18)30-2/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyPBUFCOSSHJYFHV-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.06
Rot. Bonds5

About 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide

4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 46395223) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID46395223
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCCn1c(=O)c(-c2ccc(C(=O)Nc3cccc(SC)c3)cc2)nc2ccccc21
InChIInChI=1S/C24H21N3O2S/c1-3-27-21-10-5-4-9-20(21)26-22(24(27)29)16-11-13-17(14-12-16)23(28)25-18-7-6-8-19(15-18)30-2/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyPBUFCOSSHJYFHV-UHFFFAOYSA-N
XLogP5.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
CID 56693755
N-[(2R)-butan-2-yl]-4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzamide
CID 92898885
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
N-methyl-3-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129349
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17028829
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide (CID 46395223) is 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide is CCn1c(=O)c(-c2ccc(C(=O)Nc3cccc(SC)c3)cc2)nc2ccccc21.
What is the InChIKey of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is PBUFCOSSHJYFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-3-27-21-10-5-4-9-20(21)26-22(24(27)29)16-11-13-17(14-12-16)23(28)25-18-7-6-8-19(15-18)30-2/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide?
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 46395223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).