N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C25H25N3O4S — CID 69038846

IUPACN-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H25N3O4S/c1-17-12-13-18(2)23(14-17)33(31,32)28-21-11-7-6-10-20(21)27-25(30)22(28)15-24(29)26-16-19-8-4-3-5-9-19/h3-14,22H,15-16H2,1-2H3,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyFGVNBQLMIQRMJH-JOCHJYFZSA-N
MW463.56 g/mol
LogP3.53
Rot. Bonds6

About N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 69038846) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID69038846
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H25N3O4S/c1-17-12-13-18(2)23(14-17)33(31,32)28-21-11-7-6-10-20(21)27-25(30)22(28)15-24(29)26-16-19-8-4-3-5-9-19/h3-14,22H,15-16H2,1-2H3,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyFGVNBQLMIQRMJH-JOCHJYFZSA-N
XLogP3.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4H-quinoxalin-2-yl)-N-phenyl-acetamide
CID 653087
4-(4-Ethyl-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 851173
4-(5-Tert-butyl-2-methylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 2083849
N~2~-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N~1~-(1-phenylethyl)valinamide
CID 3236250
N-(2,4-dimethylphenyl)-2-[7-(dimethylsulfamoyl)-4-ethyl-3-oxo-1,2-dihydroquinoxalin-2-yl]acetamide
CID 5141839
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1,2,3,4-tetrahydroquinolin-4-yl)acetamide
CID 57398980
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57400697
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
CID 57400937
N-[(3R)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296518
N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296519
N-[(4-methylphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 11957289
4-[(2,5-dimethylphenyl)sulfonyl]-3,4-dihydro-2(1H)-quinoxalinone
CID 798681

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 69038846) is N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is FGVNBQLMIQRMJH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-12-13-18(2)23(14-17)33(31,32)28-21-11-7-6-10-20(21)27-25(30)22(28)15-24(29)26-16-19-8-4-3-5-9-19/h3-14,22H,15-16H2,1-2H3,(H,26,29)(H,27,30)/t22-/m1/s1.
What are the key properties of N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 69038846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).