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

C21H24N2O4S — CID 55511939

IUPAC3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CSCN2C(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C21H24N2O4S/c1-22(12-16-9-10-17(26-2)11-19(16)27-3)21(25)18-13-28-14-23(18)20(24)15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3
InChIKeyWXSXTYYVPGMCJH-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.88
Rot. Bonds6

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

3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 55511939) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID55511939
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CSCN2C(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C21H24N2O4S/c1-22(12-16-9-10-17(26-2)11-19(16)27-3)21(25)18-13-28-14-23(18)20(24)15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3
InChIKeyWXSXTYYVPGMCJH-UHFFFAOYSA-N
XLogP2.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
4-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)-methylamino]butanoic acid
CID 119172932
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51143645
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876
1-(adamantane-1-carbonyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 112790475
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 5226019
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
(2S)-4-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9205945

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 55511939) is 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is COc1ccc(CN(C)C(=O)C2CSCN2C(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is WXSXTYYVPGMCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-22(12-16-9-10-17(26-2)11-19(16)27-3)21(25)18-13-28-14-23(18)20(24)15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3.
What are the key properties of 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55511939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).