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

C17H18N2O3S2 — CID 42804732

IUPACN-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
SMILESCc1ccc(N2C(=O)CSC2c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-12-6-8-15(9-7-12)19-16(20)11-23-17(19)13-4-3-5-14(10-13)18-24(2,21)22/h3-10,17-18H,11H2,1-2H3
InChIKeyVMPOGCOTPLYATP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.15
Rot. Bonds4

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

N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide (PubChem CID 42804732) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
PubChem CID42804732
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
SMILESCc1ccc(N2C(=O)CSC2c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-12-6-8-15(9-7-12)19-16(20)11-23-17(19)13-4-3-5-14(10-13)18-24(2,21)22/h3-10,17-18H,11H2,1-2H3
InChIKeyVMPOGCOTPLYATP-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 93126000
2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
4-bromo-N-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125409
4-chloro-N-[3-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804460
4-tert-butyl-N-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125415
2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125330
4-tert-butyl-N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125107
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42804699
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide (CID 42804732) is N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide is Cc1ccc(N2C(=O)CSC2c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is VMPOGCOTPLYATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-12-6-8-15(9-7-12)19-16(20)11-23-17(19)13-4-3-5-14(10-13)18-24(2,21)22/h3-10,17-18H,11H2,1-2H3.
What are the key properties of N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide?
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 42804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).