N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide

C15H18N2O3S — CID 54381874

IUPACN-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide
SMILESO=C(C=C1NS(=O)(=O)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C15H18N2O3S/c18-15(16-11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)21(19,20)17-13/h4-5,8-11,17H,1-3,6-7H2,(H,16,18)
InChIKeyVAMGIOLWVMALLT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.77
Rot. Bonds2

About N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide

N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide (PubChem CID 54381874) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide
PubChem CID54381874
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide
SMILESO=C(C=C1NS(=O)(=O)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C15H18N2O3S/c18-15(16-11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)21(19,20)17-13/h4-5,8-11,17H,1-3,6-7H2,(H,16,18)
InChIKeyVAMGIOLWVMALLT-UHFFFAOYSA-N
XLogP1.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide (CID 54381874) is N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide is O=C(C=C1NS(=O)(=O)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide?
The InChIKey is VAMGIOLWVMALLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15(16-11-6-2-1-3-7-11)10-13-12-8-4-5-9-14(12)21(19,20)17-13/h4-5,8-11,17H,1-3,6-7H2,(H,16,18).
What are the key properties of N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide?
N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)acetamide is sourced from PubChem (CID 54381874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).