N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C24H23N3O4S2 — CID 100547061

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)c3)ccc21
InChIInChI=1S/C24H23N3O4S2/c1-4-27-21-13-10-18(15-22(21)32-24(27)29)25-23(28)17-6-5-7-19(14-17)26(3)33(30,31)20-11-8-16(2)9-12-20/h5-15H,4H2,1-3H3,(H,25,28)
InChIKeyRJBMLGKZZUQXJX-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.47
Rot. Bonds6

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 100547061) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID100547061
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)c3)ccc21
InChIInChI=1S/C24H23N3O4S2/c1-4-27-21-13-10-18(15-22(21)32-24(27)29)25-23(28)17-6-5-7-19(14-17)26(3)33(30,31)20-11-8-16(2)9-12-20/h5-15H,4H2,1-3H3,(H,25,28)
InChIKeyRJBMLGKZZUQXJX-UHFFFAOYSA-N
XLogP4.47
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100539664
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540586
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540625
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 100542916
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100538732
3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
CID 46352433
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 100539561
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100539551
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3689180
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 100540127
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 100543456
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100538860

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 100547061) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CCn1c(=O)sc2cc(NC(=O)c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)c3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is RJBMLGKZZUQXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-4-27-21-13-10-18(15-22(21)32-24(27)29)25-23(28)17-6-5-7-19(14-17)26(3)33(30,31)20-11-8-16(2)9-12-20/h5-15H,4H2,1-3H3,(H,25,28).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 481.60 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 100547061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).