N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

C23H22N2O4S2 — CID 42804415

IUPACN-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1N1C(=O)CSC1c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22N2O4S2/c1-16-12-13-21(29-2)20(14-16)25-22(26)15-30-23(25)18-10-6-7-11-19(18)24-31(27,28)17-8-4-3-5-9-17/h3-14,23-24H,15H2,1-2H3
InChIKeyKCHVZNNHWHKPAL-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.58
Rot. Bonds6

About N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 42804415) has the molecular formula C23H22N2O4S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
PubChem CID42804415
Molecular FormulaC23H22N2O4S2
Molecular Weight454.57 g/mol
Exact Mass454.10
IUPAC NameN-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1N1C(=O)CSC1c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22N2O4S2/c1-16-12-13-21(29-2)20(14-16)25-22(26)15-30-23(25)18-10-6-7-11-19(18)24-31(27,28)17-8-4-3-5-9-17/h3-14,23-24H,15H2,1-2H3
InChIKeyKCHVZNNHWHKPAL-UHFFFAOYSA-N
XLogP4.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide
CID 42804337
N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127988
N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42804330
N-[2-[(2R)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126420
3-[2-methoxy-5-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 71482148
2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
CID 130464390
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea
CID 93124843
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
N-[2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 10717871
4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CID 46132828
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 42804415) is N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is COc1ccc(C)cc1N1C(=O)CSC1c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is KCHVZNNHWHKPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S2/c1-16-12-13-21(29-2)20(14-16)25-22(26)15-30-23(25)18-10-6-7-11-19(18)24-31(27,28)17-8-4-3-5-9-17/h3-14,23-24H,15H2,1-2H3.
What are the key properties of N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 42804415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).