2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C18H17ClN2O4S — CID 25023320

IUPAC2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1cc(C2SCC(=O)N2NC(=O)Cc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C18H17ClN2O4S/c1-25-15-9-12(4-7-14(15)22)18-21(17(24)10-26-18)20-16(23)8-11-2-5-13(19)6-3-11/h2-7,9,18,22H,8,10H2,1H3,(H,20,23)
InChIKeyQHMSBRYORNQDPL-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 25023320) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID25023320
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1cc(C2SCC(=O)N2NC(=O)Cc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C18H17ClN2O4S/c1-25-15-9-12(4-7-14(15)22)18-21(17(24)10-26-18)20-16(23)8-11-2-5-13(19)6-3-11/h2-7,9,18,22H,8,10H2,1H3,(H,20,23)
InChIKeyQHMSBRYORNQDPL-UHFFFAOYSA-N
XLogP2.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 25023320) is 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is COc1cc(C2SCC(=O)N2NC(=O)Cc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is QHMSBRYORNQDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-25-15-9-12(4-7-14(15)22)18-21(17(24)10-26-18)20-16(23)8-11-2-5-13(19)6-3-11/h2-7,9,18,22H,8,10H2,1H3,(H,20,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 392.86 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 25023320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).