2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

C18H27N5O4S2 — CID 4816615

IUPAC2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C(=O)NC(=O)NC)n2CC
InChIInChI=1S/C18H27N5O4S2/c1-6-22(7-2)29(26,27)13-9-10-15-14(11-13)20-18(23(15)8-3)28-12(4)16(24)21-17(25)19-5/h9-12H,6-8H2,1-5H3,(H2,19,21,24,25)
InChIKeyOMWUZABPRXCCBU-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.02
Rot. Bonds8

About 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 4816615) has the molecular formula C18H27N5O4S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID4816615
Molecular FormulaC18H27N5O4S2
Molecular Weight441.58 g/mol
Exact Mass441.15
IUPAC Name2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C(=O)NC(=O)NC)n2CC
InChIInChI=1S/C18H27N5O4S2/c1-6-22(7-2)29(26,27)13-9-10-15-14(11-13)20-18(23(15)8-3)28-12(4)16(24)21-17(25)19-5/h9-12H,6-8H2,1-5H3,(H2,19,21,24,25)
InChIKeyOMWUZABPRXCCBU-UHFFFAOYSA-N
XLogP2.02
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylpropanoate
CID 42971502
(2S)-N-carbamoyl-2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-3-methylbutanamide
CID 30442154
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-propan-2-ylacetamide
CID 4816472
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
CID 46624030
(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 40931327
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 26502134
N,N,1-triethyl-2-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 35169814
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 40589321
(2S)-N-(tert-butylcarbamoyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 27964378
N,N,1-triethyl-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 3948644
(2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 25330741

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide (CID 4816615) is 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SC(C)C(=O)NC(=O)NC)n2CC.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is OMWUZABPRXCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4S2/c1-6-22(7-2)29(26,27)13-9-10-15-14(11-13)20-18(23(15)8-3)28-12(4)16(24)21-17(25)19-5/h9-12H,6-8H2,1-5H3,(H2,19,21,24,25).
What are the key properties of 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide?
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 441.58 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 4816615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).