2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide

C14H20N4O3S2 — CID 7488097

IUPAC2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC
InChIInChI=1S/C14H20N4O3S2/c1-3-7-16-13(19)9-22-14-17-11-8-10(23(15,20)21)5-6-12(11)18(14)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H2,15,20,21)
InChIKeyWOBLPPVSGISJMB-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.32
Rot. Bonds7

About 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide

2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide (PubChem CID 7488097) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
PubChem CID7488097
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC
InChIInChI=1S/C14H20N4O3S2/c1-3-7-16-13(19)9-22-14-17-11-8-10(23(15,20)21)5-6-12(11)18(14)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H2,15,20,21)
InChIKeyWOBLPPVSGISJMB-UHFFFAOYSA-N
XLogP1.32
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
CID 46624030
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
butyl 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetate
CID 7488126
N-(5-bromo-2-pyridinyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 36610817
N-(2-cyano-3-methylbutan-2-yl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 42915938
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809907
2-(2-oxopropylsulfanyl)-1-propylbenzimidazole-5-sulfonamide
CID 40657918
ethyl 2-[[2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 41472816
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 4809908
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide (CID 7488097) is 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC.
What is the InChIKey of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
The InChIKey is WOBLPPVSGISJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-3-7-16-13(19)9-22-14-17-11-8-10(23(15,20)21)5-6-12(11)18(14)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H2,15,20,21).
What are the key properties of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide?
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide has a molecular weight of 356.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 7488097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).