N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide

C21H20N4O2S — CID 41141661

IUPACN-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2cscn2)cc1
InChIInChI=1S/C21H20N4O2S/c1-14-6-8-15(9-7-14)23-20(26)10-19-21(27)24-17-4-2-3-5-18(17)25(19)11-16-12-28-13-22-16/h2-9,12-13,19H,10-11H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyGTYAVFWKFRAQBP-IBGZPJMESA-N
MW392.48 g/mol
LogP3.81
Rot. Bonds5

About N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide

N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 41141661) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID41141661
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2cscn2)cc1
InChIInChI=1S/C21H20N4O2S/c1-14-6-8-15(9-7-14)23-20(26)10-19-21(27)24-17-4-2-3-5-18(17)25(19)11-16-12-28-13-22-16/h2-9,12-13,19H,10-11H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyGTYAVFWKFRAQBP-IBGZPJMESA-N
XLogP3.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
CID 17405826
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149
2-[(2R)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 35042841
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23764661
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34115383
2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide
CID 25386003
N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 8024059

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide (CID 41141661) is N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2cscn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is GTYAVFWKFRAQBP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-6-8-15(9-7-14)23-20(26)10-19-21(27)24-17-4-2-3-5-18(17)25(19)11-16-12-28-13-22-16/h2-9,12-13,19H,10-11H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 41141661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).