N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide

C18H20FNO3S — CID 18087050

IUPACN-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)COCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(21)20-15-6-8-17(9-7-15)24-12-16(22)11-23-10-14-4-2-3-5-18(14)19/h2-9,16,22H,10-12H2,1H3,(H,20,21)
InChIKeyXZFPNVUVBOXVMH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.45
Rot. Bonds8

About N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide

N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide (PubChem CID 18087050) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
PubChem CID18087050
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)COCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(21)20-15-6-8-17(9-7-15)24-12-16(22)11-23-10-14-4-2-3-5-18(14)19/h2-9,16,22H,10-12H2,1H3,(H,20,21)
InChIKeyXZFPNVUVBOXVMH-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide 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-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide (CID 18087050) is N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(O)COCc2ccccc2F)cc1.
What is the InChIKey of N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
The InChIKey is XZFPNVUVBOXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13(21)20-15-6-8-17(9-7-15)24-12-16(22)11-23-10-14-4-2-3-5-18(14)19/h2-9,16,22H,10-12H2,1H3,(H,20,21).
What are the key properties of N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 18087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).