4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide

C20H22N2O2S — CID 20899587

IUPAC4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)N1CCSc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H22N2O2S/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h1-9H,10-15H2,(H,21,23)
InChIKeyGVTZKAUGPPOYFL-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.26
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide (PubChem CID 20899587) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
PubChem CID20899587
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)N1CCSc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C20H22N2O2S/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h1-9H,10-15H2,(H,21,23)
InChIKeyGVTZKAUGPPOYFL-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide 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 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide (CID 20899587) is 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide is O=C(CCC(=O)N1CCSc2ccccc21)NCCc1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The InChIKey is GVTZKAUGPPOYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19(21-13-12-16-6-2-1-3-7-16)10-11-20(24)22-14-15-25-18-9-5-4-8-17(18)22/h1-9H,10-15H2,(H,21,23).
What are the key properties of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide?
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide has a molecular weight of 354.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 20899587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).