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

C23H21N3O4S2 — CID 100539664

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)ccc21
InChIInChI=1S/C23H21N3O4S2/c1-3-26-20-14-11-17(15-21(20)31-23(26)28)24-22(27)16-9-12-18(13-10-16)25(2)32(29,30)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3,(H,24,27)
InChIKeyDUZJCNHTZGKMGL-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.16
Rot. Bonds6

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

4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100539664) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
PubChem CID100539664
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCCn1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)ccc21
InChIInChI=1S/C23H21N3O4S2/c1-3-26-20-14-11-17(15-21(20)31-23(26)28)24-22(27)16-9-12-18(13-10-16)25(2)32(29,30)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3,(H,24,27)
InChIKeyDUZJCNHTZGKMGL-UHFFFAOYSA-N
XLogP4.16
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide 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

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540586
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 100542916
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)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100547061
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 100540127
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100538035
4-[ethylsulfonyl(methyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553547
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100537930
4-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(phenylsulfamoyl)benzamide
CID 100540799
4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100528512
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100538324
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3689180

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (CID 100539664) is 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is CCn1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)ccc21.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is DUZJCNHTZGKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-3-26-20-14-11-17(15-21(20)31-23(26)28)24-22(27)16-9-12-18(13-10-16)25(2)32(29,30)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3,(H,24,27).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100539664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).