N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide

C25H40N4O3S — CID 39258133

IUPACN-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
SMILESCCCn1c(CCC(=O)NCCC2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C25H40N4O3S/c1-4-18-29-23-13-12-21(33(31,32)28(5-2)6-3)19-22(23)27-24(29)14-15-25(30)26-17-16-20-10-8-7-9-11-20/h12-13,19-20H,4-11,14-18H2,1-3H3,(H,26,30)
InChIKeyBWUPWXCZCTVZMC-UHFFFAOYSA-N
MW476.69 g/mol
LogP4.50
Rot. Bonds12

About N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide

N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide (PubChem CID 39258133) has the molecular formula C25H40N4O3S and a molecular weight of 476.69 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
PubChem CID39258133
Molecular FormulaC25H40N4O3S
Molecular Weight476.69 g/mol
Exact Mass476.28
IUPAC NameN-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
SMILESCCCn1c(CCC(=O)NCCC2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C25H40N4O3S/c1-4-18-29-23-13-12-21(33(31,32)28(5-2)6-3)19-22(23)27-24(29)14-15-25(30)26-17-16-20-10-8-7-9-11-20/h12-13,19-20H,4-11,14-18H2,1-3H3,(H,26,30)
InChIKeyBWUPWXCZCTVZMC-UHFFFAOYSA-N
XLogP4.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 3899402
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26880672
N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005366
2-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-N,N-diethyl-1-propylbenzimidazole-5-sulfonamide
CID 55976973
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 35613656
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 55659140
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 34368790
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
N-[2-(4-fluorophenyl)ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24635673

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide (CID 39258133) is N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide is CCCn1c(CCC(=O)NCCC2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
The InChIKey is BWUPWXCZCTVZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3S/c1-4-18-29-23-13-12-21(33(31,32)28(5-2)6-3)19-22(23)27-24(29)14-15-25(30)26-17-16-20-10-8-7-9-11-20/h12-13,19-20H,4-11,14-18H2,1-3H3,(H,26,30).
What are the key properties of N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide has a molecular weight of 476.69 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 39258133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).