[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone

C32H32FNO5S — CID 139409125

IUPAC[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2cc(OC3CCCCO3)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
InChIInChI=1S/C32H32FNO5S/c33-16-6-17-34-20-26(21-34)37-23-10-12-24(13-11-23)39-31-27-15-14-25(38-29-9-4-5-18-36-29)19-28(27)40-32(31)30(35)22-7-2-1-3-8-22/h1-3,7-8,10-15,19,26,29H,4-6,9,16-18,20-21H2
InChIKeyGLTJSSJUZYTDGM-UHFFFAOYSA-N
MW561.68 g/mol
LogP7.25
Rot. Bonds11

About [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone

[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone (PubChem CID 139409125) has the molecular formula C32H32FNO5S and a molecular weight of 561.68 g/mol. Its IUPAC name is [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone
PubChem CID139409125
Molecular FormulaC32H32FNO5S
Molecular Weight561.68 g/mol
Exact Mass561.20
IUPAC Name[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2cc(OC3CCCCO3)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
InChIInChI=1S/C32H32FNO5S/c33-16-6-17-34-20-26(21-34)37-23-10-12-24(13-11-23)39-31-27-15-14-25(38-29-9-4-5-18-36-29)19-28(27)40-32(31)30(35)22-7-2-1-3-8-22/h1-3,7-8,10-15,19,26,29H,4-6,9,16-18,20-21H2
InChIKeyGLTJSSJUZYTDGM-UHFFFAOYSA-N
XLogP7.25
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone 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

1-(3-fluoropropyl)-3-[4-[[6-(oxan-2-yloxy)-1-benzothiophen-3-yl]oxy]phenoxy]azetidine
CID 153334508
[3-[4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
CID 163538813
(4-fluoro-2,6-dimethylphenyl)-[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-methyl-1-benzothiophen-2-yl]methanone
CID 170212816
[3-(4-bromophenoxy)-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-(4-fluoro-2,6-dimethylphenyl)methanone
CID 139408837
[2-(4-fluoro-2,6-dimethylbenzoyl)-3-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenoxy]-1-benzothiophen-6-yl] dihydrogen phosphate
CID 146382138
diethyl [2-(4-fluoro-2,6-dimethylbenzoyl)-3-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenoxy]-1-benzothiophen-6-yl] phosphate
CID 151321354
(E)-4-[3-[4-[(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)oxy]phenoxy]azetidin-1-yl]-N-methylbut-2-enamide
CID 162516283
2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-1-benzothiophene-6-carboxylic acid
CID 168874153
[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-iodophosphanyloxy-1-benzothiophen-2-yl]-phenylmethanone
CID 153334486
tert-butyl N-[4-[[2-(4-fluoro-2,6-dimethylbenzoyl)-6-(oxan-2-yloxy)-1-benzothiophen-3-yl]oxy]phenyl]carbamate
CID 139408875
(4-fluorophenyl)-[3-[4-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]amino]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone
CID 139408886
(4-fluorophenyl)-[3-[4-[[1-(3-fluoropropyl)pyrrolidin-3-yl]amino]phenoxy]-1-benzothiophen-2-yl]methanone
CID 153334496

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone?
The IUPAC name of [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone (CID 139409125) is [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone?
The canonical SMILES for [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone is O=C(c1ccccc1)c1sc2cc(OC3CCCCO3)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1.
What is the InChIKey of [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone?
The InChIKey is GLTJSSJUZYTDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FNO5S/c33-16-6-17-34-20-26(21-34)37-23-10-12-24(13-11-23)39-31-27-15-14-25(38-29-9-4-5-18-36-29)19-28(27)40-32(31)30(35)22-7-2-1-3-8-22/h1-3,7-8,10-15,19,26,29H,4-6,9,16-18,20-21H2.
What are the key properties of [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone?
[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone has a molecular weight of 561.68 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-(oxan-2-yloxy)-1-benzothiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 139409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).