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

C22H24N4O5S — CID 15944827

IUPAC1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C22H24N4O5S/c1-14-6-4-7-15(12-14)23-20(27)18-8-5-11-26(18)32(30,31)16-9-10-17-19(13-16)25(3)22(29)21(28)24(17)2/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,23,27)
InChIKeyRHCCIIQZZIQUQZ-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.34
Rot. Bonds4

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

1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 15944827) 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-(3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID15944827
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C22H24N4O5S/c1-14-6-4-7-15(12-14)23-20(27)18-8-5-11-26(18)32(30,31)16-9-10-17-19(13-16)25(3)22(29)21(28)24(17)2/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,23,27)
InChIKeyRHCCIIQZZIQUQZ-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

methyl 1-methyl-4-[(2R)-2-[(3-methylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 93052628
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
(2S)-N-(3-methylphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 92889805
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)pyrrolidine-2-carboxamide
CID 16924892
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 41181462
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide (CID 15944827) is 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1.
What is the InChIKey of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RHCCIIQZZIQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-14-6-4-7-15(12-14)23-20(27)18-8-5-11-26(18)32(30,31)16-9-10-17-19(13-16)25(3)22(29)21(28)24(17)2/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,23,27).
What are the key properties of 1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-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-(3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 15944827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).