N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide

C17H16N2O3S2 — CID 7254200

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)10-17(20)19-13-5-8-15-16(9-13)23-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyOUGOSODCMVFOFT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.33
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 7254200) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID7254200
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)10-17(20)19-13-5-8-15-16(9-13)23-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyOUGOSODCMVFOFT-UHFFFAOYSA-N
XLogP3.33
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide 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-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide (CID 7254200) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is OUGOSODCMVFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-11-3-6-14(7-4-11)24(21,22)10-17(20)19-13-5-8-15-16(9-13)23-12(2)18-15/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 7254200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).