N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide

C21H21N3O2S — CID 575169

IUPACN-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nccn2CCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c1-16(25)18-7-9-19(10-8-18)23-20(26)15-27-21-22-12-14-24(21)13-11-17-5-3-2-4-6-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,26)
InChIKeyKDWOGDCXTZGHTE-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.06
Rot. Bonds8

About N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 575169) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID575169
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nccn2CCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c1-16(25)18-7-9-19(10-8-18)23-20(26)15-27-21-22-12-14-24(21)13-11-17-5-3-2-4-6-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,26)
InChIKeyKDWOGDCXTZGHTE-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide (CID 575169) is N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2nccn2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is KDWOGDCXTZGHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-16(25)18-7-9-19(10-8-18)23-20(26)15-27-21-22-12-14-24(21)13-11-17-5-3-2-4-6-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 379.49 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-(2-phenylethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).