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

C19H20N2O4S — CID 42347308

IUPAC3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccccc3)c2)C1=O
InChIInChI=1S/C19H20N2O4S/c1-14-13-26(24,25)21(19(14)23)17-9-5-8-16(12-17)18(22)20-11-10-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyMWNXUUPJKHXTLQ-AWEZNQCLSA-N
MW372.45 g/mol
LogP1.97
Rot. Bonds5

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

3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide (PubChem CID 42347308) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
PubChem CID42347308
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccccc3)c2)C1=O
InChIInChI=1S/C19H20N2O4S/c1-14-13-26(24,25)21(19(14)23)17-9-5-8-16(12-17)18(22)20-11-10-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyMWNXUUPJKHXTLQ-AWEZNQCLSA-N
XLogP1.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110307638
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110617107
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(3-phenylpropyl)benzamide
CID 26833635
N-[2-(4-fluorophenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349725
N-(furan-2-ylmethyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347158
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-phenylethyl)benzamide
CID 98093023
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26824231
N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide (CID 42347308) is 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide is C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccccc3)c2)C1=O.
What is the InChIKey of 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is MWNXUUPJKHXTLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-13-26(24,25)21(19(14)23)17-9-5-8-16(12-17)18(22)20-11-10-15-6-3-2-4-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide?
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 42347308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).