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

C23H18F2N2O3S — CID 93127695

IUPACN-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-30-18-9-4-14(5-10-18)22(29)26-17-7-2-15(3-8-17)23-27(21(28)13-31-23)20-11-6-16(24)12-19(20)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyHWMNTXBSNIZBKR-QHCPKHFHSA-N
MW440.47 g/mol
LogP5.00
Rot. Bonds5

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

N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide (PubChem CID 93127695) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
PubChem CID93127695
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC NameN-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-30-18-9-4-14(5-10-18)22(29)26-17-7-2-15(3-8-17)23-27(21(28)13-31-23)20-11-6-16(24)12-19(20)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyHWMNTXBSNIZBKR-QHCPKHFHSA-N
XLogP5.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide 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

N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 93127692
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754
N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
4-methoxy-N-[4-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127065
4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127493
4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93005218
3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125382
4-tert-butyl-N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126876
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 42806124

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide (CID 93127695) is N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
The InChIKey is HWMNTXBSNIZBKR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c1-30-18-9-4-14(5-10-18)22(29)26-17-7-2-15(3-8-17)23-27(21(28)13-31-23)20-11-6-16(24)12-19(20)25/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide?
N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide has a molecular weight of 440.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 93127695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).