N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C18H16FN3O2S — CID 3669736

IUPACN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2S/c1-24-14-6-4-5-13(11-14)22-10-9-20-18(22)25-12-17(23)21-16-8-3-2-7-15(16)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyTXMDOVCPYYQJAW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds6

About N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3669736) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3669736
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2S/c1-24-14-6-4-5-13(11-14)22-10-9-20-18(22)25-12-17(23)21-16-8-3-2-7-15(16)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyTXMDOVCPYYQJAW-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-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-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3669736) is N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is TXMDOVCPYYQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-24-14-6-4-5-13(11-14)22-10-9-20-18(22)25-12-17(23)21-16-8-3-2-7-15(16)19/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3669736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).