(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide

C25H23FN2O2S — CID 93127138

IUPAC(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1
InChIInChI=1S/C25H23FN2O2S/c1-2-22(17-7-4-3-5-8-17)24(30)27-20-13-11-18(12-14-20)25-28(23(29)16-31-25)21-10-6-9-19(26)15-21/h3-15,22,25H,2,16H2,1H3,(H,27,30)/t22-,25+/m1/s1
InChIKeyGZWPVKNORPGCTN-RDGATRHJSA-N
MW434.54 g/mol
LogP5.74
Rot. Bonds6

About (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide

(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide (PubChem CID 93127138) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
PubChem CID93127138
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC Name(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1
InChIInChI=1S/C25H23FN2O2S/c1-2-22(17-7-4-3-5-8-17)24(30)27-20-13-11-18(12-14-20)25-28(23(29)16-31-25)21-10-6-9-19(26)15-21/h3-15,22,25H,2,16H2,1H3,(H,27,30)/t22-,25+/m1/s1
InChIKeyGZWPVKNORPGCTN-RDGATRHJSA-N
XLogP5.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93126927
(2S)-N-[4-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127504
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 71956466
N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127142
N-[4-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127141
(2R)-N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127857
(2R)-N-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127208
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 93127787
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
CID 93126255
3-(3-fluorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 5011010
3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127167

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide (CID 93127138) is (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
The InChIKey is GZWPVKNORPGCTN-RDGATRHJSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-2-22(17-7-4-3-5-8-17)24(30)27-20-13-11-18(12-14-20)25-28(23(29)16-31-25)21-10-6-9-19(26)15-21/h3-15,22,25H,2,16H2,1H3,(H,27,30)/t22-,25+/m1/s1.
What are the key properties of (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide?
(2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide has a molecular weight of 434.54 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 93127138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).