N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C19H19N3O2S — CID 3241796

IUPACN-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1
InChIInChI=1S/C19H19N3O2S/c1-2-24-17-11-7-6-10-16(17)21-18(23)14-25-19-20-12-13-22(19)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,23)
InChIKeyCXQUZZKPYSHPMV-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.00
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 3241796) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID3241796
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1
InChIInChI=1S/C19H19N3O2S/c1-2-24-17-11-7-6-10-16(17)21-18(23)14-25-19-20-12-13-22(19)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,23)
InChIKeyCXQUZZKPYSHPMV-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 3241796) is N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is CXQUZZKPYSHPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-24-17-11-7-6-10-16(17)21-18(23)14-25-19-20-12-13-22(19)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3241796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).