N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide

C18H18N4O4S2 — CID 55768437

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)c1
InChIInChI=1S/C18H18N4O4S2/c1-3-19-28(25,26)14-6-4-5-12(9-14)17(24)21-13-7-8-15-16(10-13)27-18(22-15)20-11(2)23/h4-10,19H,3H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyKAIXVVHRPHFJSK-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.81
Rot. Bonds6

About N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide (PubChem CID 55768437) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
PubChem CID55768437
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)c1
InChIInChI=1S/C18H18N4O4S2/c1-3-19-28(25,26)14-6-4-5-12(9-14)17(24)21-13-7-8-15-16(10-13)27-18(22-15)20-11(2)23/h4-10,19H,3H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyKAIXVVHRPHFJSK-UHFFFAOYSA-N
XLogP2.81
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 1188159
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
3-(propylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42319130
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35983340
3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 27365149
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
CID 38284178

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide (CID 55768437) is N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)c1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide?
The InChIKey is KAIXVVHRPHFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-3-19-28(25,26)14-6-4-5-12(9-14)17(24)21-13-7-8-15-16(10-13)27-18(22-15)20-11(2)23/h4-10,19H,3H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 55768437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).