(3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one

C19H20F5N5O4S — CID 56942669

IUPAC(3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)c1cc(F)c(N[C@@H]2CCN(C3CCN(c4noc(C(F)(F)F)n4)CC3)C2=O)cc1F
InChIInChI=1S/C19H20F5N5O4S/c1-34(31,32)15-9-11(20)14(8-12(15)21)25-13-4-7-29(16(13)30)10-2-5-28(6-3-10)18-26-17(33-27-18)19(22,23)24/h8-10,13,25H,2-7H2,1H3/t13-/m1/s1
InChIKeyJRCIYSBRRPNIQG-CYBMUJFWSA-N
MW509.46 g/mol
LogP2.45
Rot. Bonds5

About (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one

(3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56942669) has the molecular formula C19H20F5N5O4S and a molecular weight of 509.46 g/mol. Its IUPAC name is (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56942669
Molecular FormulaC19H20F5N5O4S
Molecular Weight509.46 g/mol
Exact Mass509.12
IUPAC Name(3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)c1cc(F)c(N[C@@H]2CCN(C3CCN(c4noc(C(F)(F)F)n4)CC3)C2=O)cc1F
InChIInChI=1S/C19H20F5N5O4S/c1-34(31,32)15-9-11(20)14(8-12(15)21)25-13-4-7-29(16(13)30)10-2-5-28(6-3-10)18-26-17(33-27-18)19(22,23)24/h8-10,13,25H,2-7H2,1H3/t13-/m1/s1
InChIKeyJRCIYSBRRPNIQG-CYBMUJFWSA-N
XLogP2.45
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one 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

(3S)-3-(2,6-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]piperidin-2-one
CID 56941649
(3S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 54671365
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-1,3-diazinan-2-one
CID 71572005
(3S)-1-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylphenoxy)piperidin-2-one
CID 56942360
(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-3-(2-fluoro-5-methyl-4-methylsulfonylanilino)pyrrolidin-2-one
CID 54670243
(3S)-1-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)azepan-2-one;hydrochloride
CID 54671376
(3S)-1-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 160916154
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 77426684
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
CID 54670343
1-[1-(5-ethyl-4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]-3-(2-fluoro-5-methyl-4-methylsulfonylanilino)pyrrolidin-2-one
CID 123292760
3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]piperidin-2-one
CID 77297949
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 67470544

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one (CID 56942669) is (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one is CS(=O)(=O)c1cc(F)c(N[C@@H]2CCN(C3CCN(c4noc(C(F)(F)F)n4)CC3)C2=O)cc1F.
What is the InChIKey of (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is JRCIYSBRRPNIQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F5N5O4S/c1-34(31,32)15-9-11(20)14(8-12(15)21)25-13-4-7-29(16(13)30)10-2-5-28(6-3-10)18-26-17(33-27-18)19(22,23)24/h8-10,13,25H,2-7H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one?
(3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 509.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56942669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).