1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide

C22H24N4O5S — CID 15944869

IUPAC1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H24N4O5S/c1-14-7-4-5-8-16(14)23-20(27)18-9-6-12-26(18)32(30,31)15-10-11-17-19(13-15)25(3)22(29)21(28)24(17)2/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3,(H,23,27)
InChIKeyZATLNUVJIJNASP-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.34
Rot. Bonds4

About 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide

1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 15944869) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID15944869
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H24N4O5S/c1-14-7-4-5-8-16(14)23-20(27)18-9-6-12-26(18)32(30,31)15-10-11-17-19(13-15)25(3)22(29)21(28)24(17)2/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3,(H,23,27)
InChIKeyZATLNUVJIJNASP-UHFFFAOYSA-N
XLogP1.34
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N,N-diethyl-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-sulfonamide
CID 20888101
N-methyl-N-(3-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3238453
N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 3245121
1-[4-(1,2,3,4-Tetrahydroquinolylsulfonyl)phenyl]pyrrolidin-2-one
CID 8822251
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
CID 9550514
N-[3-(dipropylamino)propyl]-2-{[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]amino}-2-phenylacetamide
CID 16194496
1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 18141527
N-(3-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 47952099
N-(4-isopropylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274420
N-(3-ethylphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274483

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide (CID 15944869) is 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZATLNUVJIJNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-7-4-5-8-16(14)23-20(27)18-9-6-12-26(18)32(30,31)15-10-11-17-19(13-15)25(3)22(29)21(28)24(17)2/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3,(H,23,27).
What are the key properties of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 15944869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).