N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

C15H22N4O3S2 — CID 39968687

IUPACN-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCC(C)(C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C
InChIInChI=1S/C15H22N4O3S2/c1-5-15(2,3)18-13(20)9-23-14-17-11-8-10(24(16,21)22)6-7-12(11)19(14)4/h6-8H,5,9H2,1-4H3,(H,18,20)(H2,16,21,22)
InChIKeyLEEYQAQECZVJIJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.62
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 39968687) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID39968687
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC NameN-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCC(C)(C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C
InChIInChI=1S/C15H22N4O3S2/c1-5-15(2,3)18-13(20)9-23-14-17-11-8-10(24(16,21)22)6-7-12(11)19(14)4/h6-8H,5,9H2,1-4H3,(H,18,20)(H2,16,21,22)
InChIKeyLEEYQAQECZVJIJ-UHFFFAOYSA-N
XLogP1.62
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 42915938
N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 25405082
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 47046624
2-(2-oxopropylsulfanyl)-1-propylbenzimidazole-5-sulfonamide
CID 40657918
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55772019
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 129376220
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4798928
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 25039119
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809907

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (CID 39968687) is N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is CCC(C)(C)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is LEEYQAQECZVJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-5-15(2,3)18-13(20)9-23-14-17-11-8-10(24(16,21)22)6-7-12(11)19(14)4/h6-8H,5,9H2,1-4H3,(H,18,20)(H2,16,21,22).
What are the key properties of N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 370.50 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 39968687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).