N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide

C17H22N4O3S — CID 91911257

IUPACN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1ccc(N2CCC(NS(=O)(=O)c3cn(C)c(C)n3)C2=O)cc1C
InChIInChI=1S/C17H22N4O3S/c1-11-5-6-14(9-12(11)2)21-8-7-15(17(21)22)19-25(23,24)16-10-20(4)13(3)18-16/h5-6,9-10,15,19H,7-8H2,1-4H3
InChIKeyCKADXBUQPKPEJO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.43
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide

N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 91911257) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID91911257
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1ccc(N2CCC(NS(=O)(=O)c3cn(C)c(C)n3)C2=O)cc1C
InChIInChI=1S/C17H22N4O3S/c1-11-5-6-14(9-12(11)2)21-8-7-15(17(21)22)19-25(23,24)16-10-20(4)13(3)18-16/h5-6,9-10,15,19H,7-8H2,1-4H3
InChIKeyCKADXBUQPKPEJO-UHFFFAOYSA-N
XLogP1.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide (CID 91911257) is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide is Cc1ccc(N2CCC(NS(=O)(=O)c3cn(C)c(C)n3)C2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is CKADXBUQPKPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-5-6-14(9-12(11)2)21-8-7-15(17(21)22)19-25(23,24)16-10-20(4)13(3)18-16/h5-6,9-10,15,19H,7-8H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide?
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 91911257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).