4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide

C13H16N4O3S2 — CID 135109147

IUPAC4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCc2snnc2C)cc1
InChIInChI=1S/C13H16N4O3S2/c1-3-22(19,20)16-11-6-4-10(5-7-11)13(18)14-8-12-9(2)15-17-21-12/h4-7,16H,3,8H2,1-2H3,(H,14,18)
InChIKeyNLTZSHLXEKGYFB-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.54
Rot. Bonds6

About 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide

4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide (PubChem CID 135109147) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
PubChem CID135109147
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCc2snnc2C)cc1
InChIInChI=1S/C13H16N4O3S2/c1-3-22(19,20)16-11-6-4-10(5-7-11)13(18)14-8-12-9(2)15-17-21-12/h4-7,16H,3,8H2,1-2H3,(H,14,18)
InChIKeyNLTZSHLXEKGYFB-UHFFFAOYSA-N
XLogP1.54
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
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CID 110122876
4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
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CID 133163901
4-(ethylsulfonylamino)benzenecarbothioamide
CID 24696000
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CID 100785351
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
4-(ethylsulfonylamino)-N-[3-(triazol-1-yl)propyl]benzamide
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ethyl 2-[4-(ethylsulfonylamino)phenyl]-2-oxoacetate
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CID 119431070

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide (CID 135109147) is 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)NCc2snnc2C)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide?
The InChIKey is NLTZSHLXEKGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-3-22(19,20)16-11-6-4-10(5-7-11)13(18)14-8-12-9(2)15-17-21-12/h4-7,16H,3,8H2,1-2H3,(H,14,18).
What are the key properties of 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide?
4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-[(4-methylthiadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 135109147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).