N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide

C17H16N2O2S — CID 46249438

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H16N2O2S/c1-3-19-14-9-8-13(10-15(14)22-17(19)21)18-16(20)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyIEPJZQGKRDSDQX-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.64
Rot. Bonds3

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide (PubChem CID 46249438) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
PubChem CID46249438
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H16N2O2S/c1-3-19-14-9-8-13(10-15(14)22-17(19)21)18-16(20)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyIEPJZQGKRDSDQX-UHFFFAOYSA-N
XLogP3.64
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide 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-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide (CID 46249438) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide is CCn1c(=O)sc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?
The InChIKey is IEPJZQGKRDSDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-19-14-9-8-13(10-15(14)22-17(19)21)18-16(20)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide is sourced from PubChem (CID 46249438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).