3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide

C17H16N2O4S — CID 42347874

IUPAC3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
SMILESC[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1=O
InChIInChI=1S/C17H16N2O4S/c1-12-11-24(22,23)19(17(12)21)15-9-5-6-13(10-15)16(20)18-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyKSPXZMMJWLMTBB-GFCCVEGCSA-N
MW344.39 g/mol
LogP2.25
Rot. Bonds3

About 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide

3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide (PubChem CID 42347874) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
PubChem CID42347874
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
SMILESC[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1=O
InChIInChI=1S/C17H16N2O4S/c1-12-11-24(22,23)19(17(12)21)15-9-5-6-13(10-15)16(20)18-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyKSPXZMMJWLMTBB-GFCCVEGCSA-N
XLogP2.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
N-(4-ethoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348169
N-(4-ethoxyphenyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348164
3-[[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzoic acid
CID 28811757
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347627
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
N-(2-methoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348135
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide?
The IUPAC name of 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide (CID 42347874) is 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide?
The canonical SMILES for 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide is C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1=O.
What is the InChIKey of 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide?
The InChIKey is KSPXZMMJWLMTBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-11-24(22,23)19(17(12)21)15-9-5-6-13(10-15)16(20)18-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide?
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide is sourced from PubChem (CID 42347874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).