3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide

C15H15N3O3S2 — CID 60612606

IUPAC3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C15H15N3O3S2/c1-23(20,21)8-6-14(19)16-10-4-5-11-12(9-10)18-15(17-11)13-3-2-7-22-13/h2-5,7,9H,6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyILLSGWSNDLAUKR-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.66
Rot. Bonds5

About 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide

3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide (PubChem CID 60612606) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
PubChem CID60612606
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C15H15N3O3S2/c1-23(20,21)8-6-14(19)16-10-4-5-11-12(9-10)18-15(17-11)13-3-2-7-22-13/h2-5,7,9H,6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyILLSGWSNDLAUKR-UHFFFAOYSA-N
XLogP2.66
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide (CID 60612606) is 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide is CS(=O)(=O)CCC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1.
What is the InChIKey of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is ILLSGWSNDLAUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-23(20,21)8-6-14(19)16-10-4-5-11-12(9-10)18-15(17-11)13-3-2-7-22-13/h2-5,7,9H,6,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 60612606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).