N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide

C12H15N3O3S — CID 47377841

IUPACN-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O3S/c1-2-7-19(17,18)8-11(16)15-12-13-9-5-3-4-6-10(9)14-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyOYXQKVMLYCBSQJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.33
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide

N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide (PubChem CID 47377841) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
PubChem CID47377841
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O3S/c1-2-7-19(17,18)8-11(16)15-12-13-9-5-3-4-6-10(9)14-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyOYXQKVMLYCBSQJ-UHFFFAOYSA-N
XLogP1.33
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
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CID 75418801
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 27649348
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide (CID 47377841) is N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide?
The InChIKey is OYXQKVMLYCBSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-7-19(17,18)8-11(16)15-12-13-9-5-3-4-6-10(9)14-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide?
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide has a molecular weight of 281.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide is sourced from PubChem (CID 47377841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).