1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide

C14H18N4O4S — CID 49454548

IUPAC1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC3C(N)=O)ccc21
InChIInChI=1S/C14H18N4O4S/c1-16-10-6-5-9(8-12(10)17(2)14(16)20)23(21,22)18-7-3-4-11(18)13(15)19/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,19)
InChIKeyQWKUFCIPXLNCKS-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.48
Rot. Bonds3

About 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 49454548) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID49454548
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC3C(N)=O)ccc21
InChIInChI=1S/C14H18N4O4S/c1-16-10-6-5-9(8-12(10)17(2)14(16)20)23(21,22)18-7-3-4-11(18)13(15)19/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,19)
InChIKeyQWKUFCIPXLNCKS-UHFFFAOYSA-N
XLogP-0.48
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 49454428
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 110867530
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710
1-(4-cyano-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 106832975
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60583832
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15944827
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42912980

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide (CID 49454548) is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC3C(N)=O)ccc21.
What is the InChIKey of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QWKUFCIPXLNCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-16-10-6-5-9(8-12(10)17(2)14(16)20)23(21,22)18-7-3-4-11(18)13(15)19/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,19).
What are the key properties of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide?
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 49454548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).