(2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide

C37H33N3O3S — CID 6532979

IUPAC(2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)/C(C#N)=c2\s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2-c2c(C)cccc2C)c(C)c1
InChIInChI=1S/C37H33N3O3S/c1-23-17-26(4)33(27(5)18-23)39-35(41)31(21-38)37-40(34-24(2)11-9-12-25(34)3)36(42)32(44-37)20-29-15-10-16-30(19-29)43-22-28-13-7-6-8-14-28/h6-20H,22H2,1-5H3,(H,39,41)/b32-20-,37-31-
InChIKeyBCPPZOIBQLRJAM-DUJMWNTFSA-N
MW599.76 g/mol
LogP6.16
Rot. Bonds7

About (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide

(2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 6532979) has the molecular formula C37H33N3O3S and a molecular weight of 599.76 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID6532979
Molecular FormulaC37H33N3O3S
Molecular Weight599.76 g/mol
Exact Mass599.22
IUPAC Name(2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)/C(C#N)=c2\s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2-c2c(C)cccc2C)c(C)c1
InChIInChI=1S/C37H33N3O3S/c1-23-17-26(4)33(27(5)18-23)39-35(41)31(21-38)37-40(34-24(2)11-9-12-25(34)3)36(42)32(44-37)20-29-15-10-16-30(19-29)43-22-28-13-7-6-8-14-28/h6-20H,22H2,1-5H3,(H,39,41)/b32-20-,37-31-
InChIKeyBCPPZOIBQLRJAM-DUJMWNTFSA-N
XLogP6.16
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.76
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide (CID 6532979) is (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)/C(C#N)=c2\s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2-c2c(C)cccc2C)c(C)c1.
What is the InChIKey of (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BCPPZOIBQLRJAM-DUJMWNTFSA-N. The full InChI is InChI=1S/C37H33N3O3S/c1-23-17-26(4)33(27(5)18-23)39-35(41)31(21-38)37-40(34-24(2)11-9-12-25(34)3)36(42)32(44-37)20-29-15-10-16-30(19-29)43-22-28-13-7-6-8-14-28/h6-20H,22H2,1-5H3,(H,39,41)/b32-20-,37-31-.
What are the key properties of (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide?
(2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 599.76 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5Z)-3-(2,6-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 6532979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).