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

C24H23F2NO3S — CID 16566055

IUPACN-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23F2NO3S/c1-16(28)27-21-10-12-23(13-11-21)31-15-22(29)14-30-24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,22,24,29H,14-15H2,1H3,(H,27,28)
InChIKeyQPXMFFUDMUPCJM-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.18
Rot. Bonds9

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

N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide (PubChem CID 16566055) has the molecular formula C24H23F2NO3S and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
PubChem CID16566055
Molecular FormulaC24H23F2NO3S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC NameN-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23F2NO3S/c1-16(28)27-21-10-12-23(13-11-21)31-15-22(29)14-30-24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,22,24,29H,14-15H2,1H3,(H,27,28)
InChIKeyQPXMFFUDMUPCJM-UHFFFAOYSA-N
XLogP5.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[bis(4-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

Related Compounds

N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 107264071
N-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]sulfanylphenyl]acetamide
CID 110885178
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
CID 78661847
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 78815982
ethyl 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoate
CID 82775915
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 55834214
N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide
CID 21411013
N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide
CID 107511321

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide (CID 16566055) is N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
The InChIKey is QPXMFFUDMUPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3S/c1-16(28)27-21-10-12-23(13-11-21)31-15-22(29)14-30-24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,22,24,29H,14-15H2,1H3,(H,27,28).
What are the key properties of N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide?
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide has a molecular weight of 443.52 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 16566055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).