3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C21H24N2O4S — CID 4057009

IUPAC3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CSC(c3ccc(OC)cc3)N2C(C)=O)cc1
InChIInChI=1S/C21H24N2O4S/c1-14(24)23-19(13-28-21(23)16-6-10-18(27-3)11-7-16)20(25)22-12-15-4-8-17(26-2)9-5-15/h4-11,19,21H,12-13H2,1-3H3,(H,22,25)
InChIKeyRYQVYYGXSHDDMR-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.98
Rot. Bonds6

About 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 4057009) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID4057009
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CSC(c3ccc(OC)cc3)N2C(C)=O)cc1
InChIInChI=1S/C21H24N2O4S/c1-14(24)23-19(13-28-21(23)16-6-10-18(27-3)11-7-16)20(25)22-12-15-4-8-17(26-2)9-5-15/h4-11,19,21H,12-13H2,1-3H3,(H,22,25)
InChIKeyRYQVYYGXSHDDMR-UHFFFAOYSA-N
XLogP2.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 4057009) is 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is COc1ccc(CNC(=O)C2CSC(c3ccc(OC)cc3)N2C(C)=O)cc1.
What is the InChIKey of 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RYQVYYGXSHDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14(24)23-19(13-28-21(23)16-6-10-18(27-3)11-7-16)20(25)22-12-15-4-8-17(26-2)9-5-15/h4-11,19,21H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4057009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).