N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide

C16H14N2O3S2 — CID 16821163

IUPACN-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C16H14N2O3S2/c1-23(20,21)13-5-2-11(3-6-13)8-16(19)18-12-4-7-14-15(9-12)22-10-17-14/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyBXNYQBDZINFBRN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.88
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 16821163) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID16821163
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C16H14N2O3S2/c1-23(20,21)13-5-2-11(3-6-13)8-16(19)18-12-4-7-14-15(9-12)22-10-17-14/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyBXNYQBDZINFBRN-UHFFFAOYSA-N
XLogP2.88
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide 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-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide (CID 16821163) is N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is BXNYQBDZINFBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-23(20,21)13-5-2-11(3-6-13)8-16(19)18-12-4-7-14-15(9-12)22-10-17-14/h2-7,9-10H,8H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 16821163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).