N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide

C24H23N3O3S2 — CID 4681786

IUPACN-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
SMILESCCN(C)S(=O)(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C24H23N3O3S2/c1-3-27(2)32(29,30)19-14-15-20-21(16-19)31-24(25-20)26-23(28)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,22H,3H2,1-2H3,(H,25,26,28)
InChIKeyZPIJGAQSINDOQD-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.71
Rot. Bonds7

About N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide

N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 4681786) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
PubChem CID4681786
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC NameN-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
SMILESCCN(C)S(=O)(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C24H23N3O3S2/c1-3-27(2)32(29,30)19-14-15-20-21(16-19)31-24(25-20)26-23(28)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,22H,3H2,1-2H3,(H,25,26,28)
InChIKeyZPIJGAQSINDOQD-UHFFFAOYSA-N
XLogP4.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4102491
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4120437
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-fluorobenzamide
CID 3594581
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
2-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide
CID 5061232
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 1273299
N-(6-nitro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 2433919
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 4139190
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 5215417

Frequently Asked Questions

What is the IUPAC name of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide (CID 4681786) is N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide is CCN(C)S(=O)(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1.
What is the InChIKey of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is ZPIJGAQSINDOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-3-27(2)32(29,30)19-14-15-20-21(16-19)31-24(25-20)26-23(28)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,22H,3H2,1-2H3,(H,25,26,28).
What are the key properties of N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide?
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 465.60 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 4681786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).