2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide

C17H17N3O2S — CID 742340

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-22-13-9-7-12(8-10-13)18-16(21)11-23-17-19-14-5-3-4-6-15(14)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIYBBIFFQMXUZLE-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.69
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 742340) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
PubChem CID742340
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-22-13-9-7-12(8-10-13)18-16(21)11-23-17-19-14-5-3-4-6-15(14)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIYBBIFFQMXUZLE-UHFFFAOYSA-N
XLogP3.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324816
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 94844743
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
N-(3-acetylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1205153
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1044749
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(4-ethoxyphenyl)-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136687522
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide (CID 742340) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is IYBBIFFQMXUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-22-13-9-7-12(8-10-13)18-16(21)11-23-17-19-14-5-3-4-6-15(14)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).