N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide

C25H23FN2O4S2 — CID 145367079

IUPACN-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide
SMILESC=C(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C25H23FN2O4S2/c1-16-14-19(17(2)27-34(30,31)22-11-9-21(32-3)10-12-22)6-13-23(16)28-24(29)15-33-25(28)18-4-7-20(26)8-5-18/h4-14,25,27H,2,15H2,1,3H3
InChIKeyFZUYXWAJTJREMB-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.87
Rot. Bonds7

About N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide

N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide (PubChem CID 145367079) has the molecular formula C25H23FN2O4S2 and a molecular weight of 498.60 g/mol. Its IUPAC name is N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide
PubChem CID145367079
Molecular FormulaC25H23FN2O4S2
Molecular Weight498.60 g/mol
Exact Mass498.11
IUPAC NameN-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide
SMILESC=C(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C25H23FN2O4S2/c1-16-14-19(17(2)27-34(30,31)22-11-9-21(32-3)10-12-22)6-13-23(16)28-24(29)15-33-25(28)18-4-7-20(26)8-5-18/h4-14,25,27H,2,15H2,1,3H3
InChIKeyFZUYXWAJTJREMB-UHFFFAOYSA-N
XLogP4.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385703
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385743
methyl 4-[2-(4-methoxycarbonylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130386094
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 130385708
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082
N-(4-bromophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-imino-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130428050
N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127695
N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385994
1-adamantyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385606
2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 130428174

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide (CID 145367079) is N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide is C=C(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide?
The InChIKey is FZUYXWAJTJREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4S2/c1-16-14-19(17(2)27-34(30,31)22-11-9-21(32-3)10-12-22)6-13-23(16)28-24(29)15-33-25(28)18-4-7-20(26)8-5-18/h4-14,25,27H,2,15H2,1,3H3.
What are the key properties of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide?
N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide has a molecular weight of 498.60 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 145367079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).