methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate

C19H17F2NO3S — CID 138725404

IUPACmethyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F2NO3S/c1-11-3-5-15(6-4-11)26-19(18(24)25-2)10-16(23)22-17(19)12-7-13(20)9-14(21)8-12/h3-9,17H,10H2,1-2H3,(H,22,23)/t17-,19-/m1/s1
InChIKeyDHAHJNFMCARZPN-IEBWSBKVSA-N
MW377.41 g/mol
LogP3.54
Rot. Bonds4

About methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate

methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 138725404) has the molecular formula C19H17F2NO3S and a molecular weight of 377.41 g/mol. Its IUPAC name is methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate
PubChem CID138725404
Molecular FormulaC19H17F2NO3S
Molecular Weight377.41 g/mol
Exact Mass377.09
IUPAC Namemethyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C19H17F2NO3S/c1-11-3-5-15(6-4-11)26-19(18(24)25-2)10-16(23)22-17(19)12-7-13(20)9-14(21)8-12/h3-9,17H,10H2,1-2H3,(H,22,23)/t17-,19-/m1/s1
InChIKeyDHAHJNFMCARZPN-IEBWSBKVSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate (CID 138725404) is methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1cc(F)cc(F)c1.
What is the InChIKey of methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DHAHJNFMCARZPN-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H17F2NO3S/c1-11-3-5-15(6-4-11)26-19(18(24)25-2)10-16(23)22-17(19)12-7-13(20)9-14(21)8-12/h3-9,17H,10H2,1-2H3,(H,22,23)/t17-,19-/m1/s1.
What are the key properties of methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate?
methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 377.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 138725404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).