2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

C15H13N3O4S2 — CID 3534311

IUPAC2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1
InChIInChI=1S/C15H13N3O4S2/c16-24(20,21)11-6-7-12-13(8-11)23-15(17-12)18-14(19)9-22-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
InChIKeyKTNUEZAWJNOERC-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.96
Rot. Bonds5

About 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3534311) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID3534311
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1
InChIInChI=1S/C15H13N3O4S2/c16-24(20,21)11-6-7-12-13(8-11)23-15(17-12)18-14(19)9-22-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
InChIKeyKTNUEZAWJNOERC-UHFFFAOYSA-N
XLogP1.96
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide 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-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy]-N-(benzothiazol-2-yl)acetamide (3i)
CID 46947464
N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
CID 951327
N-(6-ethoxy-1,3-benzothiazol-2-yl)tetrahydrofuran-2-carboxamide
CID 3157156
[2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8899148
1-(2-Methoxyphenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea
CID 9508981
N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 711108
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 652526
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea
CID 888504
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 694928
N-(4-(N-(6-ethoxybenzo[d]thiazol-2-yl)sulfamoyl)phenyl)acetamide
CID 655616

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (CID 3534311) is 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is NS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1.
What is the InChIKey of 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is KTNUEZAWJNOERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c16-24(20,21)11-6-7-12-13(8-11)23-15(17-12)18-14(19)9-22-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,20,21)(H,17,18,19).
What are the key properties of 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3534311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).