N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C22H19N3O3S2 — CID 18585536

IUPACN-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-2-25(18-6-4-3-5-7-18)30(27,28)19-11-8-16(9-12-19)22(26)24-17-10-13-21-20(14-17)23-15-29-21/h3-15H,2H2,1H3,(H,24,26)
InChIKeySEWGMKYPQZKNGI-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.76
Rot. Bonds6

About N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 18585536) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID18585536
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-2-25(18-6-4-3-5-7-18)30(27,28)19-11-8-16(9-12-19)22(26)24-17-10-13-21-20(14-17)23-15-29-21/h3-15H,2H2,1H3,(H,24,26)
InChIKeySEWGMKYPQZKNGI-UHFFFAOYSA-N
XLogP4.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
4-[ethyl(phenyl)sulfamoyl]-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 30806172
4-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518994
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2711419
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17140257
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 18585536) is N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is SEWGMKYPQZKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-2-25(18-6-4-3-5-7-18)30(27,28)19-11-8-16(9-12-19)22(26)24-17-10-13-21-20(14-17)23-15-29-21/h3-15H,2H2,1H3,(H,24,26).
What are the key properties of N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 437.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 18585536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).