N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide

C18H16N2OS — CID 46820966

IUPACN-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C18H16N2OS/c21-16(11-12-5-1-2-6-12)19-18-20-17-14-8-4-3-7-13(14)9-10-15(17)22-18/h1,3-5,7-10,12H,2,6,11H2,(H,19,20,21)
InChIKeyIHMBZEHQVXJQJL-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.74
Rot. Bonds3

About N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide

N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide (PubChem CID 46820966) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
PubChem CID46820966
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C18H16N2OS/c21-16(11-12-5-1-2-6-12)19-18-20-17-14-8-4-3-7-13(14)9-10-15(17)22-18/h1,3-5,7-10,12H,2,6,11H2,(H,19,20,21)
InChIKeyIHMBZEHQVXJQJL-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide (CID 46820966) is N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)Nc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is IHMBZEHQVXJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-16(11-12-5-1-2-6-12)19-18-20-17-14-8-4-3-7-13(14)9-10-15(17)22-18/h1,3-5,7-10,12H,2,6,11H2,(H,19,20,21).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide?
N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 308.41 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 46820966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).