3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C20H22N2O4S — CID 55545581

IUPAC3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CSCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4S/c1-25-16-8-9-18(26-2)15(10-16)11-21-19(23)17-12-27-13-22(17)20(24)14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,21,23)
InChIKeyNUEPOUUNRBFDSV-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.54
Rot. Bonds6

About 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55545581) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55545581
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CSCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4S/c1-25-16-8-9-18(26-2)15(10-16)11-21-19(23)17-12-27-13-22(17)20(24)14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,21,23)
InChIKeyNUEPOUUNRBFDSV-UHFFFAOYSA-N
XLogP2.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 55511939
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 95151733
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973622
(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 51943870
2-benzoyl-N-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4827261
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 55545581) is 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2CSCN2C(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NUEPOUUNRBFDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-25-16-8-9-18(26-2)15(10-16)11-21-19(23)17-12-27-13-22(17)20(24)14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55545581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).