3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide

C25H42N4O3S — CID 43005366

IUPAC3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NC(C)CCCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C25H42N4O3S/c1-7-17-29-23-14-13-21(33(31,32)28(8-2)9-3)18-22(23)27-24(29)15-16-25(30)26-20(6)12-10-11-19(4)5/h13-14,18-20H,7-12,15-17H2,1-6H3,(H,26,30)
InChIKeyTZWCWISFYFERTC-UHFFFAOYSA-N
MW478.70 g/mol
LogP4.74
Rot. Bonds14

About 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide

3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide (PubChem CID 43005366) has the molecular formula C25H42N4O3S and a molecular weight of 478.70 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
PubChem CID43005366
Molecular FormulaC25H42N4O3S
Molecular Weight478.70 g/mol
Exact Mass478.30
IUPAC Name3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NC(C)CCCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C25H42N4O3S/c1-7-17-29-23-14-13-21(33(31,32)28(8-2)9-3)18-22(23)27-24(29)15-16-25(30)26-20(6)12-10-11-19(4)5/h13-14,18-20H,7-12,15-17H2,1-6H3,(H,26,30)
InChIKeyTZWCWISFYFERTC-UHFFFAOYSA-N
XLogP4.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 46797564
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2S)-heptan-2-yl]propanamide
CID 29296719
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393
N-[(2S)-1-aminopropan-2-yl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide;hydrochloride
CID 120509123
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26880672
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide (CID 43005366) is 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide is CCCn1c(CCC(=O)NC(C)CCCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide?
The InChIKey is TZWCWISFYFERTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O3S/c1-7-17-29-23-14-13-21(33(31,32)28(8-2)9-3)18-22(23)27-24(29)15-16-25(30)26-20(6)12-10-11-19(4)5/h13-14,18-20H,7-12,15-17H2,1-6H3,(H,26,30).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide?
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide has a molecular weight of 478.70 g/mol, XLogP of 4.74, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide is sourced from PubChem (CID 43005366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).