2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C22H17N3O3S — CID 35871469

IUPAC2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C22H17N3O3S/c1-28-15-11-12-18-19(13-15)29-22(24-18)25-21(27)16-9-5-6-10-17(16)23-20(26)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyMUNGTSSTWMNHCC-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.81
Rot. Bonds5

About 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 35871469) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID35871469
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C22H17N3O3S/c1-28-15-11-12-18-19(13-15)29-22(24-18)25-21(27)16-9-5-6-10-17(16)23-20(26)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyMUNGTSSTWMNHCC-UHFFFAOYSA-N
XLogP4.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020
3-(2-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87394940
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
CID 110701475

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 35871469) is 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccccc3NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MUNGTSSTWMNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-28-15-11-12-18-19(13-15)29-22(24-18)25-21(27)16-9-5-6-10-17(16)23-20(26)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 35871469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).