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

C23H20ClN3O4S — CID 22064876

IUPACN-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESO=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C23H20ClN3O4S/c24-17-9-6-10-18(13-17)32(30,31)27-20-12-5-4-11-19(20)26-23(29)21(27)14-22(28)25-15-16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,25,28)(H,26,29)
InChIKeyKZDGQWVGVPKTEV-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.56
Rot. Bonds6

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

N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 22064876) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID22064876
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESO=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C23H20ClN3O4S/c24-17-9-6-10-18(13-17)32(30,31)27-20-12-5-4-11-19(20)26-23(29)21(27)14-22(28)25-15-16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,25,28)(H,26,29)
InChIKeyKZDGQWVGVPKTEV-UHFFFAOYSA-N
XLogP3.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 69038846
N-[2-(4-aminophenyl)ethyl]-2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 11284009
N-benzyl-2-[6,7-dichloro-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064827
N-[2-[4-(3-aminopropyl)phenyl]ethyl]-2-[1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 11180676
methyl 4-[[[2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]methyl]benzoate
CID 22065077
N-benzyl-2-[6,7-difluoro-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 142205861
2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21235070
2-[(2S)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-(2-phenylacetyl)acetamide
CID 1272473
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
CID 69037010
2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 22065072
N-[(3-chlorophenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1481831
2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-(4-cyanophenyl)ethyl]acetamide
CID 69038122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 22064876) is N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is KZDGQWVGVPKTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c24-17-9-6-10-18(13-17)32(30,31)27-20-12-5-4-11-19(20)26-23(29)21(27)14-22(28)25-15-16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,25,28)(H,26,29).
What are the key properties of N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 469.95 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 22064876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).