N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C18H14FN3O3S — CID 3240570

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14FN3O3S/c19-12-1-4-14(5-2-12)22-8-7-20-18(22)26-10-17(23)21-13-3-6-15-16(9-13)25-11-24-15/h1-9H,10-11H2,(H,21,23)
InChIKeyVDAJCSCYZDSRJR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.47
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3240570) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3240570
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H14FN3O3S/c19-12-1-4-14(5-2-12)22-8-7-20-18(22)26-10-17(23)21-13-3-6-15-16(9-13)25-11-24-15/h1-9H,10-11H2,(H,21,23)
InChIKeyVDAJCSCYZDSRJR-UHFFFAOYSA-N
XLogP3.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)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-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 3240570) is N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is VDAJCSCYZDSRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-12-1-4-14(5-2-12)22-8-7-20-18(22)26-10-17(23)21-13-3-6-15-16(9-13)25-11-24-15/h1-9H,10-11H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 371.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3240570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).