N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide

C14H19N5O4S — CID 135215641

IUPACN-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide
SMILESCC1NNC(n2c(=O)[nH]c3ccc(S(=O)(=O)NC4(C)CC4)cc32)O1
InChIInChI=1S/C14H19N5O4S/c1-8-16-17-13(23-8)19-11-7-9(3-4-10(11)15-12(19)20)24(21,22)18-14(2)5-6-14/h3-4,7-8,13,16-18H,5-6H2,1-2H3,(H,15,20)
InChIKeyAYYAACNENLBTOE-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.09
Rot. Bonds4

About N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide

N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide (PubChem CID 135215641) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide
PubChem CID135215641
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC NameN-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide
SMILESCC1NNC(n2c(=O)[nH]c3ccc(S(=O)(=O)NC4(C)CC4)cc32)O1
InChIInChI=1S/C14H19N5O4S/c1-8-16-17-13(23-8)19-11-7-9(3-4-10(11)15-12(19)20)24(21,22)18-14(2)5-6-14/h3-4,7-8,13,16-18H,5-6H2,1-2H3,(H,15,20)
InChIKeyAYYAACNENLBTOE-UHFFFAOYSA-N
XLogP0.09
TPSA117.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxobenzimidazole-5-sulfonamide
CID 135215684
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 121398394
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide
CID 169187288
N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415915
1-(2-cyclopropylethyl)-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415781
N-(1-methylcyclopropyl)quinazoline-6-sulfonamide
CID 176943922
N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide
CID 169187330
tert-butyl N-[5-[[6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxo-1H-quinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamate
CID 121398754
1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134183410
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide (CID 135215641) is N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide is CC1NNC(n2c(=O)[nH]c3ccc(S(=O)(=O)NC4(C)CC4)cc32)O1.
What is the InChIKey of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide?
The InChIKey is AYYAACNENLBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-8-16-17-13(23-8)19-11-7-9(3-4-10(11)15-12(19)20)24(21,22)18-14(2)5-6-14/h3-4,7-8,13,16-18H,5-6H2,1-2H3,(H,15,20).
What are the key properties of N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide?
N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 135215641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).