N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide

C27H26N2O5S — CID 6520078

IUPACN-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCOc1cc(C2S/C(=C\c3ccccc3)C(=O)N2c2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O5S/c1-17(30)28-20-11-8-12-21(16-20)29-26(31)24(13-18-9-6-5-7-10-18)35-27(29)19-14-22(32-2)25(34-4)23(15-19)33-3/h5-16,27H,1-4H3,(H,28,30)/b24-13-
InChIKeyFQZGVUZAIWTZKW-CFRMEGHHSA-N
MW490.58 g/mol
LogP5.49
Rot. Bonds7

About N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide

N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide (PubChem CID 6520078) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide
PubChem CID6520078
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC NameN-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCOc1cc(C2S/C(=C\c3ccccc3)C(=O)N2c2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O5S/c1-17(30)28-20-11-8-12-21(16-20)29-26(31)24(13-18-9-6-5-7-10-18)35-27(29)19-14-22(32-2)25(34-4)23(15-19)33-3/h5-16,27H,1-4H3,(H,28,30)/b24-13-
InChIKeyFQZGVUZAIWTZKW-CFRMEGHHSA-N
XLogP5.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 5470500
N-[4-methoxy-3-[(5E)-4-oxo-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 5470247
(5E)-3-(3-nitrophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5470242
N-[(5E)-5-benzylidene-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910447
N-[3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]acetamide
CID 14763363
N-[3-[(3E)-3-[(3-chloro-2-methoxy-5-methylphenyl)-hydroxymethylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108668056
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987482
N-[3-[(3E)-3-[(3-tert-butyl-4-methoxyphenyl)-hydroxymethylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108667981
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
N-[3-[4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108668054

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide (CID 6520078) is N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide is COc1cc(C2S/C(=C\c3ccccc3)C(=O)N2c2cccc(NC(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide?
The InChIKey is FQZGVUZAIWTZKW-CFRMEGHHSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-17(30)28-20-11-8-12-21(16-20)29-26(31)24(13-18-9-6-5-7-10-18)35-27(29)19-14-22(32-2)25(34-4)23(15-19)33-3/h5-16,27H,1-4H3,(H,28,30)/b24-13-.
What are the key properties of N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide?
N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide has a molecular weight of 490.58 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5Z)-5-benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 6520078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).