N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C18H19N3O2S — CID 4789081

IUPACN-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-23-14-10-8-13(9-11-14)19-17(22)12-24-18-20-15-6-4-5-7-16(15)21(18)2/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyVZSJBUDTECRYLG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.70
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 4789081) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID4789081
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-23-14-10-8-13(9-11-14)19-17(22)12-24-18-20-15-6-4-5-7-16(15)21(18)2/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyVZSJBUDTECRYLG-UHFFFAOYSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide 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

N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 3460987
N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 4646087
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 601320
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7428484
N-[(2-ethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354019
N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
CID 5061258
N-(4-ethoxyphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 980221
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 4789081) is N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is VZSJBUDTECRYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-23-14-10-8-13(9-11-14)19-17(22)12-24-18-20-15-6-4-5-7-16(15)21(18)2/h4-11H,3,12H2,1-2H3,(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4789081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).