N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide

C23H21N3O3S — CID 3685053

About N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide

N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 3685053) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
• PubChem CID: 3685053
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
• SMILES: Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)c2cccs2)cc1C
• InChI: InChI=1S/C23H21N3O3S/c1-14-9-10-16(12-15(14)2)24-21(27)13-19-22(28)25-17-6-3-4-7-18(17)26(19)23(29)20-8-5-11-30-20/h3-12,19H,13H2,1-2H3,(H,24,27)(H,25,28)
• InChIKey: BXAQDDQVRIJFPK-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?

The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide (CID 3685053) is N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)c2cccs2)cc1C.

What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?

The InChIKey is BXAQDDQVRIJFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-14-9-10-16(12-15(14)2)24-21(27)13-19-22(28)25-17-6-3-4-7-18(17)26(19)23(29)20-8-5-11-30-20/h3-12,19H,13H2,1-2H3,(H,24,27)(H,25,28).

What are the key properties of N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide?

N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 3685053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).