2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide

C25H25N3O4S — CID 41143525

IUPAC2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C25H25N3O4S/c1-15-12-19(16(2)33-15)23(29)14-28-21-7-5-4-6-20(21)27-25(31)22(28)13-24(30)26-17-8-10-18(32-3)11-9-17/h4-12,22H,13-14H2,1-3H3,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeyCQSPEDUPGFAXBK-JOCHJYFZSA-N
MW463.56 g/mol
LogP4.41
Rot. Bonds7

About 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide

2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 41143525) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID41143525
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C25H25N3O4S/c1-15-12-19(16(2)33-15)23(29)14-28-21-7-5-4-6-20(21)27-25(31)22(28)13-24(30)26-17-8-10-18(32-3)11-9-17/h4-12,22H,13-14H2,1-3H3,(H,26,30)(H,27,31)/t22-/m1/s1
InChIKeyCQSPEDUPGFAXBK-JOCHJYFZSA-N
XLogP4.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 2491092
2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23764661
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149
N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307419
2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide
CID 25386003
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
CID 17405826
N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 41141661
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316429
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide (CID 41143525) is 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is CQSPEDUPGFAXBK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-15-12-19(16(2)33-15)23(29)14-28-21-7-5-4-6-20(21)27-25(31)22(28)13-24(30)26-17-8-10-18(32-3)11-9-17/h4-12,22H,13-14H2,1-3H3,(H,26,30)(H,27,31)/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 41143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).