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

C26H34N2O4S — CID 42745083

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSC(CC(C)C)N2C(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H34N2O4S/c1-17(2)14-24-28(26(30)20-9-6-18(3)7-10-20)21(16-33-24)25(29)27-13-12-19-8-11-22(31-4)23(15-19)32-5/h6-11,15,17,21,24H,12-14,16H2,1-5H3,(H,27,29)
InChIKeyNLQXBIYMOVDCRC-UHFFFAOYSA-N
MW470.64 g/mol
LogP4.30
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745083) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745083
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSC(CC(C)C)N2C(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C26H34N2O4S/c1-17(2)14-24-28(26(30)20-9-6-18(3)7-10-20)21(16-33-24)25(29)27-13-12-19-8-11-22(31-4)23(15-19)32-5/h6-11,15,17,21,24H,12-14,16H2,1-5H3,(H,27,29)
InChIKeyNLQXBIYMOVDCRC-UHFFFAOYSA-N
XLogP4.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
3-(3,4-dimethoxybenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3942883
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42744695
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748213

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42745083) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(CCNC(=O)C2CSC(CC(C)C)N2C(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NLQXBIYMOVDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-17(2)14-24-28(26(30)20-9-6-18(3)7-10-20)21(16-33-24)25(29)27-13-12-19-8-11-22(31-4)23(15-19)32-5/h6-11,15,17,21,24H,12-14,16H2,1-5H3,(H,27,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).