N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide

C17H15N3O4S2 — CID 7267001

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1
InChIInChI=1S/C17H15N3O4S2/c1-10(21)18-11-7-8-13-14(9-11)25-17(19-13)20-16(22)12-5-3-4-6-15(12)26(2,23)24/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyFTQBMQFSCLLATA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.91
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide (PubChem CID 7267001) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
PubChem CID7267001
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1
InChIInChI=1S/C17H15N3O4S2/c1-10(21)18-11-7-8-13-14(9-11)25-17(19-13)20-16(22)12-5-3-4-6-15(12)26(2,23)24/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyFTQBMQFSCLLATA-UHFFFAOYSA-N
XLogP2.91
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide 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

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide
CID 5019530
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7578603
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide (CID 7267001) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
The InChIKey is FTQBMQFSCLLATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-10(21)18-11-7-8-13-14(9-11)25-17(19-13)20-16(22)12-5-3-4-6-15(12)26(2,23)24/h3-9H,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 7267001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).