3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide

C23H38N4O3S — CID 55601933

IUPAC3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide
SMILESCCCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)C(C)C
InChIInChI=1S/C23H38N4O3S/c1-7-10-11-16-27(18(4)5)23(28)15-14-22-24-20-17-19(12-13-21(20)25(22)6)31(29,30)26(8-2)9-3/h12-13,17-18H,7-11,14-16H2,1-6H3
InChIKeySHRDIXKWWGJWTR-UHFFFAOYSA-N
MW450.65 g/mol
LogP3.96
Rot. Bonds12

About 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide (PubChem CID 55601933) has the molecular formula C23H38N4O3S and a molecular weight of 450.65 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide
PubChem CID55601933
Molecular FormulaC23H38N4O3S
Molecular Weight450.65 g/mol
Exact Mass450.27
IUPAC Name3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide
SMILESCCCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)C(C)C
InChIInChI=1S/C23H38N4O3S/c1-7-10-11-16-27(18(4)5)23(28)15-14-22-24-20-17-19(12-13-21(20)25(22)6)31(29,30)26(8-2)9-3/h12-13,17-18H,7-11,14-16H2,1-6H3
InChIKeySHRDIXKWWGJWTR-UHFFFAOYSA-N
XLogP3.96
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2S)-heptan-2-yl]propanamide
CID 29296719
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
N-[(2S)-1-aminopropan-2-yl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide;hydrochloride
CID 120509123
ethyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl-propan-2-ylamino]acetate
CID 55985441
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
CID 35325270
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42999113
(2,4-dimethylphenyl) 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
CID 39489569
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
N-[1-(3-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42998546

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide (CID 55601933) is 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide is CCCCCN(C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)C(C)C.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide?
The InChIKey is SHRDIXKWWGJWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3S/c1-7-10-11-16-27(18(4)5)23(28)15-14-22-24-20-17-19(12-13-21(20)25(22)6)31(29,30)26(8-2)9-3/h12-13,17-18H,7-11,14-16H2,1-6H3.
What are the key properties of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide?
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide has a molecular weight of 450.65 g/mol, XLogP of 3.96, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 55601933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).