N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide

C23H21N3O4S2 — CID 2117790

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2c1
InChIInChI=1S/C23H21N3O4S2/c1-3-30-18-11-14-20-21(15-18)31-23(24-20)25-22(27)16-9-12-19(13-10-16)32(28,29)26(2)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,27)
InChIKeyOUURJHNXEDTLDN-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.77
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2117790) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2117790
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2c1
InChIInChI=1S/C23H21N3O4S2/c1-3-30-18-11-14-20-21(15-18)31-23(24-20)25-22(27)16-9-12-19(13-10-16)32(28,29)26(2)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,27)
InChIKeyOUURJHNXEDTLDN-UHFFFAOYSA-N
XLogP4.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 35996706
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 26251712
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
6-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 78859276

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2117790) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is OUURJHNXEDTLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-3-30-18-11-14-20-21(15-18)31-23(24-20)25-22(27)16-9-12-19(13-10-16)32(28,29)26(2)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,27).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2117790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).