N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C18H16FN3OS — CID 866687

IUPACN-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c19-15-8-6-14(7-9-15)12-21-17(23)13-24-18-20-10-11-22(18)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,23)
InChIKeyRFVDYCNGERWXIH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.42
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 866687) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID866687
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3OS/c19-15-8-6-14(7-9-15)12-21-17(23)13-24-18-20-10-11-22(18)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,23)
InChIKeyRFVDYCNGERWXIH-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 866687) is N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1-c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is RFVDYCNGERWXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-15-8-6-14(7-9-15)12-21-17(23)13-24-18-20-10-11-22(18)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 341.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 866687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).