N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide

C24H21FN2O2S — CID 42804661

IUPACN-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
SMILESCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C
InChIInChI=1S/C24H21FN2O2S/c1-15-6-11-21(12-16(15)2)27-22(28)14-30-24(27)18-4-3-5-20(13-18)26-23(29)17-7-9-19(25)10-8-17/h3-13,24H,14H2,1-2H3,(H,26,29)
InChIKeyPXVLCCBWLVKRII-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.47
Rot. Bonds4

About N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide

N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide (PubChem CID 42804661) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
PubChem CID42804661
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC NameN-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
SMILESCc1ccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C
InChIInChI=1S/C24H21FN2O2S/c1-15-6-11-21(12-16(15)2)27-22(28)14-30-24(27)18-4-3-5-20(13-18)26-23(29)17-7-9-19(25)10-8-17/h3-13,24H,14H2,1-2H3,(H,26,29)
InChIKeyPXVLCCBWLVKRII-UHFFFAOYSA-N
XLogP5.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[(2R)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124773
3-fluoro-N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127958
N-[3-[3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 24715230
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
N-[3-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127627
1-(2,3-dimethylphenyl)-3-[3-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea
CID 42804375
N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127960
3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127167
ethyl 4-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125306
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127885
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126951

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide (CID 42804661) is N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide is Cc1ccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C.
What is the InChIKey of N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
The InChIKey is PXVLCCBWLVKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-15-6-11-21(12-16(15)2)27-22(28)14-30-24(27)18-4-3-5-20(13-18)26-23(29)17-7-9-19(25)10-8-17/h3-13,24H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide?
N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide has a molecular weight of 420.51 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 42804661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).