4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide

C19H28N4O3S — CID 46456209

IUPAC4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H28N4O3S/c1-2-14-27(25,26)23-12-10-15(11-13-23)20-19(24)9-5-8-18-21-16-6-3-4-7-17(16)22-18/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,20,24)(H,21,22)
InChIKeyCHUTYGSSZFCZSX-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.21
Rot. Bonds8

About 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide

4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide (PubChem CID 46456209) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
PubChem CID46456209
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CCCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H28N4O3S/c1-2-14-27(25,26)23-12-10-15(11-13-23)20-19(24)9-5-8-18-21-16-6-3-4-7-17(16)22-18/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,20,24)(H,21,22)
InChIKeyCHUTYGSSZFCZSX-UHFFFAOYSA-N
XLogP2.21
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43393264
4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
CID 46433394
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
CID 126452336
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 55694353
ethyl 4-[[N'-[3-(1H-benzimidazol-2-yl)propyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328692
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 86813158

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide (CID 46456209) is 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide is CCCS(=O)(=O)N1CCC(NC(=O)CCCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is CHUTYGSSZFCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-2-14-27(25,26)23-12-10-15(11-13-23)20-19(24)9-5-8-18-21-16-6-3-4-7-17(16)22-18/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide?
4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 392.53 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 46456209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).