(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide

C20H17Cl2N3O2S — CID 86620922

IUPAC(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Nc1nc2ccccc2s1)/C(=N\OC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2S/c21-14-10-9-12(11-15(14)22)18(25-27-13-5-1-2-6-13)19(26)24-20-23-16-7-3-4-8-17(16)28-20/h3-4,7-11,13H,1-2,5-6H2,(H,23,24,26)/b25-18-
InChIKeyDPNJKTOTXMCLHI-BWAHOGKJSA-N
MW434.35 g/mol
LogP5.91
Rot. Bonds5

About (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide

(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide (PubChem CID 86620922) has the molecular formula C20H17Cl2N3O2S and a molecular weight of 434.35 g/mol. Its IUPAC name is (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide
PubChem CID86620922
Molecular FormulaC20H17Cl2N3O2S
Molecular Weight434.35 g/mol
Exact Mass433.04
IUPAC Name(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Nc1nc2ccccc2s1)/C(=N\OC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O2S/c21-14-10-9-12(11-15(14)22)18(25-27-13-5-1-2-6-13)19(26)24-20-23-16-7-3-4-8-17(16)28-20/h3-4,7-11,13H,1-2,5-6H2,(H,23,24,26)/b25-18-
InChIKeyDPNJKTOTXMCLHI-BWAHOGKJSA-N
XLogP5.91
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide (CID 86620922) is (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide is O=C(Nc1nc2ccccc2s1)/C(=N\OC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is DPNJKTOTXMCLHI-BWAHOGKJSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2S/c21-14-10-9-12(11-15(14)22)18(25-27-13-5-1-2-6-13)19(26)24-20-23-16-7-3-4-8-17(16)28-20/h3-4,7-11,13H,1-2,5-6H2,(H,23,24,26)/b25-18-.
What are the key properties of (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide?
(2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 434.35 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyloxyimino-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 86620922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).