N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide

C20H18F2N2O2S — CID 42806187

IUPACN-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(C2SCC(=O)N2c2cc(F)ccc2F)cc1)C1CCC1
InChIInChI=1S/C20H18F2N2O2S/c21-14-6-9-16(22)17(10-14)24-18(25)11-27-20(24)13-4-7-15(8-5-13)23-19(26)12-2-1-3-12/h4-10,12,20H,1-3,11H2,(H,23,26)
InChIKeyWHLAMFUMAQTPDR-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.48
Rot. Bonds4

About N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide

N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide (PubChem CID 42806187) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide
PubChem CID42806187
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC NameN-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(C2SCC(=O)N2c2cc(F)ccc2F)cc1)C1CCC1
InChIInChI=1S/C20H18F2N2O2S/c21-14-6-9-16(22)17(10-14)24-18(25)11-27-20(24)13-4-7-15(8-5-13)23-19(26)12-2-1-3-12/h4-10,12,20H,1-3,11H2,(H,23,26)
InChIKeyWHLAMFUMAQTPDR-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42807114
4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127493
N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 93127692
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
CID 93126935
N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42804330
2-chloro-N-[4-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125744
N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127695
(2S)-N-[4-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127504
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
CID 46132400
3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 24715605

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide (CID 42806187) is N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(C2SCC(=O)N2c2cc(F)ccc2F)cc1)C1CCC1.
What is the InChIKey of N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is WHLAMFUMAQTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c21-14-6-9-16(22)17(10-14)24-18(25)11-27-20(24)13-4-7-15(8-5-13)23-19(26)12-2-1-3-12/h4-10,12,20H,1-3,11H2,(H,23,26).
What are the key properties of N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide?
N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 42806187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).