2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

C26H34N2O6S — CID 42744695

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSC(c3ccc(OC)c(OC)c3)N2C(=O)C(C)C)cc1OC
InChIInChI=1S/C26H34N2O6S/c1-16(2)25(30)28-19(15-35-26(28)18-8-10-21(32-4)23(14-18)34-6)24(29)27-12-11-17-7-9-20(31-3)22(13-17)33-5/h7-10,13-14,16,19,26H,11-12,15H2,1-6H3,(H,27,29)
InChIKeyWXRMYIZJZVMFCP-UHFFFAOYSA-N
MW502.63 g/mol
LogP3.68
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744695) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744695
Molecular FormulaC26H34N2O6S
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSC(c3ccc(OC)c(OC)c3)N2C(=O)C(C)C)cc1OC
InChIInChI=1S/C26H34N2O6S/c1-16(2)25(30)28-19(15-35-26(28)18-8-10-21(32-4)23(14-18)34-6)24(29)27-12-11-17-7-9-20(31-3)22(13-17)33-5/h7-10,13-14,16,19,26H,11-12,15H2,1-6H3,(H,27,29)
InChIKeyWXRMYIZJZVMFCP-UHFFFAOYSA-N
XLogP3.68
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-2-(3,4-dimethoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7226475
3-acetyl-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744705
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
N-butyl-2-(3,4-dimethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 5002325
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
(2S,4R)-2-(3,4-dimethoxyphenyl)-3-propanoyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 7271182
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745083
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42748609
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 42744695) is 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(CCNC(=O)C2CSC(c3ccc(OC)c(OC)c3)N2C(=O)C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WXRMYIZJZVMFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-16(2)25(30)28-19(15-35-26(28)18-8-10-21(32-4)23(14-18)34-6)24(29)27-12-11-17-7-9-20(31-3)22(13-17)33-5/h7-10,13-14,16,19,26H,11-12,15H2,1-6H3,(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 502.63 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).