N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide

C14H18N4O4S — CID 121416072

IUPACN,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide
SMILESCNC(=O)n1c(=O)n(C)c2c(S(=O)(=O)NC3(C)CC3)cccc21
InChIInChI=1S/C14H18N4O4S/c1-14(7-8-14)16-23(21,22)10-6-4-5-9-11(10)17(3)13(20)18(9)12(19)15-2/h4-6,16H,7-8H2,1-3H3,(H,15,19)
InChIKeyFVXAXJMTIKVTII-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.36
Rot. Bonds3

About N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide

N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 121416072) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide
PubChem CID121416072
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide
SMILESCNC(=O)n1c(=O)n(C)c2c(S(=O)(=O)NC3(C)CC3)cccc21
InChIInChI=1S/C14H18N4O4S/c1-14(7-8-14)16-23(21,22)10-6-4-5-9-11(10)17(3)13(20)18(9)12(19)15-2/h4-6,16H,7-8H2,1-3H3,(H,15,19)
InChIKeyFVXAXJMTIKVTII-UHFFFAOYSA-N
XLogP0.36
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
N-(2-methoxyethyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3158005
N-methyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2957874
N,N-diethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 787615
N-ethyl-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2226213
N,N-dibutyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2209250
1,3-dimethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 1242526
1,3-Dimethyl-2-oxo-N-propyl-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 3158003
US10508086, Example 6
CID 121415742
US10508086, Example 56
CID 121415870
2,3-Dihydro-1,3-dimethyl-2-oxo-1H-benzimidazole-5-sulfonamide
CID 751861
1,3-diethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 715107

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide (CID 121416072) is N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide is CNC(=O)n1c(=O)n(C)c2c(S(=O)(=O)NC3(C)CC3)cccc21.
What is the InChIKey of N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide?
The InChIKey is FVXAXJMTIKVTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-14(7-8-14)16-23(21,22)10-6-4-5-9-11(10)17(3)13(20)18(9)12(19)15-2/h4-6,16H,7-8H2,1-3H3,(H,15,19).
What are the key properties of N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide?
N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 121416072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).