2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

C25H26N2O3S2 — CID 93125085

IUPAC2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCc1cccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1
InChIInChI=1S/C25H26N2O3S2/c1-16-6-5-7-22(14-16)27-23(28)15-31-25(27)20-8-10-21(11-9-20)26-32(29,30)24-18(3)12-17(2)13-19(24)4/h5-14,25-26H,15H2,1-4H3/t25-/m0/s1
InChIKeyADMFIGQSUISEIG-VWLOTQADSA-N
MW466.63 g/mol
LogP5.50
Rot. Bonds5

About 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 93125085) has the molecular formula C25H26N2O3S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
PubChem CID93125085
Molecular FormulaC25H26N2O3S2
Molecular Weight466.63 g/mol
Exact Mass466.14
IUPAC Name2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCc1cccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1
InChIInChI=1S/C25H26N2O3S2/c1-16-6-5-7-22(14-16)27-23(28)15-31-25(27)20-8-10-21(11-9-20)26-32(29,30)24-18(3)12-17(2)13-19(24)4/h5-14,25-26H,15H2,1-4H3/t25-/m0/s1
InChIKeyADMFIGQSUISEIG-VWLOTQADSA-N
XLogP5.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
N-[4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 42806226
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
4-tert-butyl-N-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125415
3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 3422181
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 42804732
4-bromo-N-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125409
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 93125085) is 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is ADMFIGQSUISEIG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N2O3S2/c1-16-6-5-7-22(14-16)27-23(28)15-31-25(27)20-8-10-21(11-9-20)26-32(29,30)24-18(3)12-17(2)13-19(24)4/h5-14,25-26H,15H2,1-4H3/t25-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 466.63 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 93125085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).