N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide

C19H18N2O6S — CID 42347627

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C1=O
InChIInChI=1S/C19H18N2O6S/c1-12-11-28(24,25)21(19(12)23)15-4-2-3-13(9-15)18(22)20-14-5-6-16-17(10-14)27-8-7-26-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyOUDQRHTZNKPMGC-LBPRGKRZSA-N
MW402.43 g/mol
LogP2.02
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (PubChem CID 42347627) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
PubChem CID42347627
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C1=O
InChIInChI=1S/C19H18N2O6S/c1-12-11-28(24,25)21(19(12)23)15-4-2-3-13(9-15)18(22)20-14-5-6-16-17(10-14)27-8-7-26-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyOUDQRHTZNKPMGC-LBPRGKRZSA-N
XLogP2.02
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887
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-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
N-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
3-[[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzoic acid
CID 28811757
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
N-(2-methoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348135
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The IUPAC name of 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) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The InChIKey is OUDQRHTZNKPMGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-12-11-28(24,25)21(19(12)23)15-4-2-3-13(9-15)18(22)20-14-5-6-16-17(10-14)27-8-7-26-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 42347627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).