CID 58534121

C24H29F3O2S — CID 58534121

IUPAC—
SMILES[CH]Oc1ccc(SCC(CCC)(CCC)COc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C24H29F3O2S/c1-5-13-23(14-6-2,17-30-21-11-12-22(28-4)18(3)15-21)16-29-20-9-7-19(8-10-20)24(25,26)27/h4,7-12,15H,5-6,13-14,16-17H2,1-3H3
InChIKeyHXCUFDIVIPWDDJ-UHFFFAOYSA-N
MW438.56 g/mol
LogP7.82
Rot. Bonds11

About CID 58534121

CID 58534121 (PubChem CID 58534121) has the molecular formula C24H29F3O2S and a molecular weight of 438.56 g/mol.

Molecular Properties

Compound NameCID 58534121
PubChem CID58534121
Molecular FormulaC24H29F3O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name—
SMILES[CH]Oc1ccc(SCC(CCC)(CCC)COc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C24H29F3O2S/c1-5-13-23(14-6-2,17-30-21-11-12-22(28-4)18(3)15-21)16-29-20-9-7-19(8-10-20)24(25,26)27/h4,7-12,15H,5-6,13-14,16-17H2,1-3H3
InChIKeyHXCUFDIVIPWDDJ-UHFFFAOYSA-N
XLogP7.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Seladelpar
CID 11236126
2-(2-Methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid
CID 11418941
(R)-2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid
CID 16726113
2-(4-(2-(Ethoxymethyl)-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11155356
2-(4-(2-(Benzyloxy)-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11225910
2-[4-({3,3-Difluoro-2-[4-(trifluoromethyl)phenoxymethyl]prop-2-en-1-yl}sulfanyl)-2-methylphenoxy]acetic acid
CID 11282309
2-[2-Methyl-4-({3-methyl-2-[4-(trifluoromethyl)phenoxymethyl]but-2-en-1-yl}sulfanyl)phenoxy]acetic acid
CID 11293589
2-{2-Methyl-4-[({1-[4-(trifluoromethyl)phenoxymethyl]cyclopropyl}methyl)sulfanyl]phenoxy}acetic acid
CID 11339310
(S)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11351266
2-(2-methyl-4-{[(2E)-3-phenyl-2-[4-(trifluoromethyl)phenoxymethyl]prop-2-en-1-yl]sulfanyl}phenoxy)acetic acid
CID 11352276
2-[4-({2,2-Difluoro-3-[4-(trifluoromethyl)phenoxy]propyl}sulfanyl)-2-methylphenoxy]acetic acid
CID 11373952
2-[2-Methyl-4-({2-propyl-2-[4-(trifluoromethyl)phenoxymethyl]pentyl}sulfanyl)phenoxy]acetic acid
CID 11397569

Frequently Asked Questions

What is the IUPAC name of CID 58534121?
The IUPAC name of CID 58534121 (CID 58534121) is not available.
What is the SMILES notation for CID 58534121?
The canonical SMILES for CID 58534121 is [CH]Oc1ccc(SCC(CCC)(CCC)COc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of CID 58534121?
The InChIKey is HXCUFDIVIPWDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3O2S/c1-5-13-23(14-6-2,17-30-21-11-12-22(28-4)18(3)15-21)16-29-20-9-7-19(8-10-20)24(25,26)27/h4,7-12,15H,5-6,13-14,16-17H2,1-3H3.
What are the key properties of CID 58534121?
CID 58534121 has a molecular weight of 438.56 g/mol, XLogP of 7.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58534121 is sourced from PubChem (CID 58534121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).