N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C24H23N3O3S2 — CID 4616709

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1
InChIInChI=1S/C24H23N3O3S2/c1-4-27(19-8-6-5-7-9-19)32(29,30)20-14-12-18(13-15-20)23(28)26-24-25-21-16(2)10-11-17(3)22(21)31-24/h5-15H,4H2,1-3H3,(H,25,26,28)
InChIKeyLWKHCFYBTUOPDA-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.38
Rot. Bonds6

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 4616709) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID4616709
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1
InChIInChI=1S/C24H23N3O3S2/c1-4-27(19-8-6-5-7-9-19)32(29,30)20-14-12-18(13-15-20)23(28)26-24-25-21-16(2)10-11-17(3)22(21)31-24/h5-15H,4H2,1-3H3,(H,25,26,28)
InChIKeyLWKHCFYBTUOPDA-UHFFFAOYSA-N
XLogP5.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5009412
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 4280238
4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518994
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148747
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41006324
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 4616709) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is LWKHCFYBTUOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-4-27(19-8-6-5-7-9-19)32(29,30)20-14-12-18(13-15-20)23(28)26-24-25-21-16(2)10-11-17(3)22(21)31-24/h5-15H,4H2,1-3H3,(H,25,26,28).
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 465.60 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4616709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).