N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C20H22N2O4S — CID 110616599

IUPACN-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-15(13-16-5-3-2-4-6-16)14-21-20(24)17-7-9-18(10-8-17)22-19(23)11-12-27(22,25)26/h2-10,15H,11-14H2,1H3,(H,21,24)
InChIKeyOVODTHFKPUENIE-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.36
Rot. Bonds6

About N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110616599) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110616599
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-15(13-16-5-3-2-4-6-16)14-21-20(24)17-7-9-18(10-8-17)22-19(23)11-12-27(22,25)26/h2-10,15H,11-14H2,1H3,(H,21,24)
InChIKeyOVODTHFKPUENIE-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006832
N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006820
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
CID 110407862
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110618492
2-chloro-N-(3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996951
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110616599) is N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC(CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OVODTHFKPUENIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(13-16-5-3-2-4-6-16)14-21-20(24)17-7-9-18(10-8-17)22-19(23)11-12-27(22,25)26/h2-10,15H,11-14H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110616599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).