5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide

C16H22N4O3S2 — CID 26881359

IUPAC5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)s1
InChIInChI=1S/C16H22N4O3S2/c1-6-13-18-19-15(24-13)17-14(21)12-9-11(8-7-10(12)2)25(22,23)20-16(3,4)5/h7-9,20H,6H2,1-5H3,(H,17,19,21)
InChIKeyIYMAQXGKUGFTAN-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.74
Rot. Bonds5

About 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (PubChem CID 26881359) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
PubChem CID26881359
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)s1
InChIInChI=1S/C16H22N4O3S2/c1-6-13-18-19-15(24-13)17-14(21)12-9-11(8-7-10(12)2)25(22,23)20-16(3,4)5/h7-9,20H,6H2,1-5H3,(H,17,19,21)
InChIKeyIYMAQXGKUGFTAN-UHFFFAOYSA-N
XLogP2.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
2-methyl-5-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55551181
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
CID 31265617
5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26850641
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 29412307
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25486579
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (CID 26881359) is 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is CCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)s1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The InChIKey is IYMAQXGKUGFTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-6-13-18-19-15(24-13)17-14(21)12-9-11(8-7-10(12)2)25(22,23)20-16(3,4)5/h7-9,20H,6H2,1-5H3,(H,17,19,21).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide has a molecular weight of 382.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is sourced from PubChem (CID 26881359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).