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

C19H20N2O4S — CID 42347946

IUPACN-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1C
InChIInChI=1S/C19H20N2O4S/c1-12-7-8-16(9-13(12)2)20-18(22)15-5-4-6-17(10-15)21-19(23)14(3)11-26(21,24)25/h4-10,14H,11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyCFBSABQYXBQHPJ-CQSZACIVSA-N
MW372.45 g/mol
LogP2.87
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (PubChem CID 42347946) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
PubChem CID42347946
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1C
InChIInChI=1S/C19H20N2O4S/c1-12-7-8-16(9-13(12)2)20-18(22)15-5-4-6-17(10-15)21-19(23)14(3)11-26(21,24)25/h4-10,14H,11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyCFBSABQYXBQHPJ-CQSZACIVSA-N
XLogP2.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.87
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
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
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
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
2-chloro-N-(3,4-dimethylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997077
2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655
N-(4-ethoxyphenyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348164
N-(4-ethoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348169
4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307015
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
N-(2-methoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348135

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (CID 42347946) is N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The InChIKey is CFBSABQYXBQHPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-7-8-16(9-13(12)2)20-18(22)15-5-4-6-17(10-15)21-19(23)14(3)11-26(21,24)25/h4-10,14H,11H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide has a molecular weight of 372.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 42347946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).