3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide

C13H17N3O3S — CID 154814647

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NS(C)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-3-12-14-10-6-4-5-7-11(10)16(12)9-8-13(17)15-20(2,18)19/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyIEFMWRQUSKNFEA-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.06
Rot. Bonds5

About 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide

3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide (PubChem CID 154814647) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
PubChem CID154814647
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NS(C)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-3-12-14-10-6-4-5-7-11(10)16(12)9-8-13(17)15-20(2,18)19/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyIEFMWRQUSKNFEA-UHFFFAOYSA-N
XLogP1.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide (CID 154814647) is 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide is CCc1nc2ccccc2n1CCC(=O)NS(C)(=O)=O.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide?
The InChIKey is IEFMWRQUSKNFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-12-14-10-6-4-5-7-11(10)16(12)9-8-13(17)15-20(2,18)19/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide?
3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide has a molecular weight of 295.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 154814647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).