2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide

C18H28N4O3S2 — CID 4816472

IUPAC2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC(C)C)n2CC
InChIInChI=1S/C18H28N4O3S2/c1-6-21(7-2)27(24,25)14-9-10-16-15(11-14)20-18(22(16)8-3)26-12-17(23)19-13(4)5/h9-11,13H,6-8,12H2,1-5H3,(H,19,23)
InChIKeyVDFYXSQXYJBAJW-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.70
Rot. Bonds9

About 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 4816472) has the molecular formula C18H28N4O3S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID4816472
Molecular FormulaC18H28N4O3S2
Molecular Weight412.58 g/mol
Exact Mass412.16
IUPAC Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC(C)C)n2CC
InChIInChI=1S/C18H28N4O3S2/c1-6-21(7-2)27(24,25)14-9-10-16-15(11-14)20-18(22(16)8-3)26-12-17(23)19-13(4)5/h9-11,13H,6-8,12H2,1-5H3,(H,19,23)
InChIKeyVDFYXSQXYJBAJW-UHFFFAOYSA-N
XLogP2.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 26502134
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 40589321
N-[(2R)-butan-2-yl]-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanylacetamide
CID 29180122
methyl 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylpropanoate
CID 42971502
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 4663274
N,N,1-triethyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 3948644
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 4676306
N,N,1-triethyl-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylbenzimidazole-5-sulfonamide
CID 41081416
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 4816615
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 16514875
2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 24658023

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide (CID 4816472) is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC(C)C)n2CC.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is VDFYXSQXYJBAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S2/c1-6-21(7-2)27(24,25)14-9-10-16-15(11-14)20-18(22(16)8-3)26-12-17(23)19-13(4)5/h9-11,13H,6-8,12H2,1-5H3,(H,19,23).
What are the key properties of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 412.58 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 4816472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).