N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

C23H36N4O3S — CID 3899402

IUPACN-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCCCCC1)n2CC
InChIInChI=1S/C23H36N4O3S/c1-4-26(5-2)31(29,30)19-13-14-21-20(17-19)25-22(27(21)6-3)15-16-23(28)24-18-11-9-7-8-10-12-18/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,24,28)
InChIKeyLUNZXDYIVQSRJF-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.86
Rot. Bonds9

About N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (PubChem CID 3899402) has the molecular formula C23H36N4O3S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
PubChem CID3899402
Molecular FormulaC23H36N4O3S
Molecular Weight448.63 g/mol
Exact Mass448.25
IUPAC NameN-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCCCCC1)n2CC
InChIInChI=1S/C23H36N4O3S/c1-4-26(5-2)31(29,30)19-13-14-21-20(17-19)25-22(27(21)6-3)15-16-23(28)24-18-11-9-7-8-10-12-18/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,24,28)
InChIKeyLUNZXDYIVQSRJF-UHFFFAOYSA-N
XLogP3.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate
CID 98398348
N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 39258133
N-(1-benzylpiperidin-4-yl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 24559496
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 25348157
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 26736268
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42977326
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 35613656

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (CID 3899402) is N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCCCCC1)n2CC.
What is the InChIKey of N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The InChIKey is LUNZXDYIVQSRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3S/c1-4-26(5-2)31(29,30)19-13-14-21-20(17-19)25-22(27(21)6-3)15-16-23(28)24-18-11-9-7-8-10-12-18/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,24,28).
What are the key properties of N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide has a molecular weight of 448.63 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 3899402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).