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

C24H23N3O4S2 — CID 5009412

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)c4ccccc4)cc3)nc12
InChIInChI=1S/C24H23N3O4S2/c1-3-27(18-9-6-5-7-10-18)33(29,30)19-15-13-17(14-16-19)23(28)26-24-25-22-20(31-4-2)11-8-12-21(22)32-24/h5-16H,3-4H2,1-2H3,(H,25,26,28)
InChIKeyNQADIDGQMSBLQG-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.16
Rot. Bonds8

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

N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 5009412) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID5009412
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)c4ccccc4)cc3)nc12
InChIInChI=1S/C24H23N3O4S2/c1-3-27(18-9-6-5-7-10-18)33(29,30)19-15-13-17(14-16-19)23(28)26-24-25-22-20(31-4-2)11-8-12-21(22)32-24/h5-16H,3-4H2,1-2H3,(H,25,26,28)
InChIKeyNQADIDGQMSBLQG-UHFFFAOYSA-N
XLogP5.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41235075
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4616709
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 43963875
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2152308
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41235454
4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 4280238

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 5009412) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)c4ccccc4)cc3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is NQADIDGQMSBLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-3-27(18-9-6-5-7-10-18)33(29,30)19-15-13-17(14-16-19)23(28)26-24-25-22-20(31-4-2)11-8-12-21(22)32-24/h5-16H,3-4H2,1-2H3,(H,25,26,28).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 5009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).