3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide

C20H22FNO3S — CID 46802916

IUPAC3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C20H22FNO3S/c21-15-6-8-19(9-7-15)26-12-10-20(23)22-16-3-1-4-17(13-16)25-14-18-5-2-11-24-18/h1,3-4,6-9,13,18H,2,5,10-12,14H2,(H,22,23)
InChIKeyKKGWIENTQCTLFG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.50
Rot. Bonds8

About 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 46802916) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID46802916
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C20H22FNO3S/c21-15-6-8-19(9-7-15)26-12-10-20(23)22-16-3-1-4-17(13-16)25-14-18-5-2-11-24-18/h1,3-4,6-9,13,18H,2,5,10-12,14H2,(H,22,23)
InChIKeyKKGWIENTQCTLFG-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
4-(2,5-dimethylphenyl)-4-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 38477132

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 46802916) is 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide is O=C(CCSc1ccc(F)cc1)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is KKGWIENTQCTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c21-15-6-8-19(9-7-15)26-12-10-20(23)22-16-3-1-4-17(13-16)25-14-18-5-2-11-24-18/h1,3-4,6-9,13,18H,2,5,10-12,14H2,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 46802916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).