N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H21N3O4S — CID 135415534

IUPACN-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N/Cc3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-26-15-9-7-14(8-10-15)22-18(24)11-17-19(25)23-20(28-17)21-12-13-5-3-4-6-16(13)27-2/h3-10,17H,11-12H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyHZFILLMEURYCSF-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.82
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135415534) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135415534
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N/Cc3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-26-15-9-7-14(8-10-15)22-18(24)11-17-19(25)23-20(28-17)21-12-13-5-3-4-6-16(13)27-2/h3-10,17H,11-12H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyHZFILLMEURYCSF-UHFFFAOYSA-N
XLogP2.82
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135415534) is N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(NC(=O)CC2S/C(=N/Cc3ccccc3OC)NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is HZFILLMEURYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-26-15-9-7-14(8-10-15)22-18(24)11-17-19(25)23-20(28-17)21-12-13-5-3-4-6-16(13)27-2/h3-10,17H,11-12H2,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135415534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).