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

C34H26ClN3O3S — CID 2517110

IUPAC(2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCc1ccc(C)c(-n2c(=O)/c(=C\c3cccc(OCc4ccccc4)c3)s/c2=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C34H26ClN3O3S/c1-22-14-15-23(2)30(16-22)38-33(40)31(18-25-10-6-13-28(17-25)41-21-24-8-4-3-5-9-24)42-34(38)29(20-36)32(39)37-27-12-7-11-26(35)19-27/h3-19H,21H2,1-2H3,(H,37,39)/b31-18+,34-29-
InChIKeyYHHIJCCVNWNSEQ-NIKHNSCNSA-N
MW592.12 g/mol
LogP5.89
Rot. Bonds7

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

(2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2517110) has the molecular formula C34H26ClN3O3S and a molecular weight of 592.12 g/mol. Its IUPAC name is (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID2517110
Molecular FormulaC34H26ClN3O3S
Molecular Weight592.12 g/mol
Exact Mass591.14
IUPAC Name(2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide
SMILESCc1ccc(C)c(-n2c(=O)/c(=C\c3cccc(OCc4ccccc4)c3)s/c2=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C34H26ClN3O3S/c1-22-14-15-23(2)30(16-22)38-33(40)31(18-25-10-6-13-28(17-25)41-21-24-8-4-3-5-9-24)42-34(38)29(20-36)32(39)37-27-12-7-11-26(35)19-27/h3-19H,21H2,1-2H3,(H,37,39)/b31-18+,34-29-
InChIKeyYHHIJCCVNWNSEQ-NIKHNSCNSA-N
XLogP5.89
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.12
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide (CID 2517110) is (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide is Cc1ccc(C)c(-n2c(=O)/c(=C\c3cccc(OCc4ccccc4)c3)s/c2=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is YHHIJCCVNWNSEQ-NIKHNSCNSA-N. The full InChI is InChI=1S/C34H26ClN3O3S/c1-22-14-15-23(2)30(16-22)38-33(40)31(18-25-10-6-13-28(17-25)41-21-24-8-4-3-5-9-24)42-34(38)29(20-36)32(39)37-27-12-7-11-26(35)19-27/h3-19H,21H2,1-2H3,(H,37,39)/b31-18+,34-29-.
What are the key properties of (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 592.12 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-chlorophenyl)-2-cyano-2-[(5E)-3-(2,5-dimethylphenyl)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2517110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).