N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

C23H21N3O3S2 — CID 38136843

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1
InChIInChI=1S/C23H21N3O3S2/c1-2-26(18-10-4-3-5-11-18)31(28,29)19-12-8-9-17(15-19)23(27)24-16-22-25-20-13-6-7-14-21(20)30-22/h3-15H,2,16H2,1H3,(H,24,27)
InChIKeyWZSCKVGPCOPZDB-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.44
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 38136843) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID38136843
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1
InChIInChI=1S/C23H21N3O3S2/c1-2-26(18-10-4-3-5-11-18)31(28,29)19-12-8-9-17(15-19)23(27)24-16-22-25-20-13-6-7-14-21(20)30-22/h3-15H,2,16H2,1H3,(H,24,27)
InChIKeyWZSCKVGPCOPZDB-UHFFFAOYSA-N
XLogP4.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
CID 38284178
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37486403
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
3-[ethyl(phenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382613
N-[2-[3-(1,3-benzothiazol-2-yl)propylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 55492058
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 38136843) is N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is WZSCKVGPCOPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-2-26(18-10-4-3-5-11-18)31(28,29)19-12-8-9-17(15-19)23(27)24-16-22-25-20-13-6-7-14-21(20)30-22/h3-15H,2,16H2,1H3,(H,24,27).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 38136843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).