5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid

C19H21F2NO2S — CID 121447196

IUPAC5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid
SMILESCC(C)Sc1cccc(-c2ccc(C(F)(F)CCCC(=O)O)cc2)n1
InChIInChI=1S/C19H21F2NO2S/c1-13(2)25-17-6-3-5-16(22-17)14-8-10-15(11-9-14)19(20,21)12-4-7-18(23)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,23,24)
InChIKeyPNGOVNRGZMSMRT-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.60
Rot. Bonds8

About 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid

5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid (PubChem CID 121447196) has the molecular formula C19H21F2NO2S and a molecular weight of 365.45 g/mol. Its IUPAC name is 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid
PubChem CID121447196
Molecular FormulaC19H21F2NO2S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid
SMILESCC(C)Sc1cccc(-c2ccc(C(F)(F)CCCC(=O)O)cc2)n1
InChIInChI=1S/C19H21F2NO2S/c1-13(2)25-17-6-3-5-16(22-17)14-8-10-15(11-9-14)19(20,21)12-4-7-18(23)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,23,24)
InChIKeyPNGOVNRGZMSMRT-UHFFFAOYSA-N
XLogP5.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid 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

(3-Cyano-6-thiophen-2-yl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-phenyl-acetic acid
CID 3154832
2-[3-Cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid
CID 1086251
2-[(3-Cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid
CID 3120415
{[3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 1083228
(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-phenyl-acetic acid methyl ester
CID 2961957
2,2-Dimethyl-6-(4-phenylquinolin-2-yl)sulfanylhexanoic acid
CID 10407375
5-[2,6-Difluoro-4-(2-propylsulfanyl-3-pyridinyl)phenyl]hexanoic acid
CID 121446928
5-[2,6-Difluoro-4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]hexanoic acid
CID 121446930
2-[1-[2,6-Difluoro-4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pyrrolidin-3-yl]acetic acid
CID 121446946
5-[4-(2-Cyclopentylsulfanylpyridin-3-yl)phenyl]-5,5-difluoropentanoic acid
CID 121446957
3-[2-[2,6-Difluoro-4-(2-propylsulfanyl-3-pyridinyl)phenyl]cyclopropyl]propanoic acid
CID 121446958
(5R)-5-[4-(2-cyclobutylsulfanyl-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid
CID 121446971

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid?
The IUPAC name of 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid (CID 121447196) is 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid.
What is the SMILES notation for 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid?
The canonical SMILES for 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid is CC(C)Sc1cccc(-c2ccc(C(F)(F)CCCC(=O)O)cc2)n1.
What is the InChIKey of 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid?
The InChIKey is PNGOVNRGZMSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2S/c1-13(2)25-17-6-3-5-16(22-17)14-8-10-15(11-9-14)19(20,21)12-4-7-18(23)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,23,24).
What are the key properties of 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid?
5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid has a molecular weight of 365.45 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenyl]pentanoic acid is sourced from PubChem (CID 121447196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).