5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C12H14N4O3S2 — CID 25486579

IUPAC5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C12H14N4O3S2/c1-3-14-21(18,19)9-5-4-8(2)10(6-9)11(17)15-12-16-13-7-20-12/h4-7,14H,3H2,1-2H3,(H,15,16,17)
InChIKeyCGZHAFVOHKODMC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.40
Rot. Bonds5

About 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide

5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 25486579) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID25486579
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C12H14N4O3S2/c1-3-14-21(18,19)9-5-4-8(2)10(6-9)11(17)15-12-16-13-7-20-12/h4-7,14H,3H2,1-2H3,(H,15,16,17)
InChIKeyCGZHAFVOHKODMC-UHFFFAOYSA-N
XLogP1.40
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
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5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167610
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CID 27648413
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 51101805
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 25486579) is 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nncs2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is CGZHAFVOHKODMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-3-14-21(18,19)9-5-4-8(2)10(6-9)11(17)15-12-16-13-7-20-12/h4-7,14H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 25486579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).