N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide

C16H15N3O3S2 — CID 4080204

IUPACN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C16H15N3O3S2/c1-17-24(21,22)12-7-8-13-14(10-12)23-16(18-13)19-15(20)9-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3,(H,18,19,20)
InChIKeyIVAFBGGUXLGJSF-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.39
Rot. Bonds5

About N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide

N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide (PubChem CID 4080204) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
PubChem CID4080204
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C16H15N3O3S2/c1-17-24(21,22)12-7-8-13-14(10-12)23-16(18-13)19-15(20)9-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3,(H,18,19,20)
InChIKeyIVAFBGGUXLGJSF-UHFFFAOYSA-N
XLogP2.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
CID 3339715
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
2-(3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666779
2-chloro-N-[[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422784
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145741

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide (CID 4080204) is N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide is CNS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The InChIKey is IVAFBGGUXLGJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-17-24(21,22)12-7-8-13-14(10-12)23-16(18-13)19-15(20)9-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3,(H,18,19,20).
What are the key properties of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide has a molecular weight of 361.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 4080204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).