N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C14H19N5O3S — CID 19164234

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1
InChIInChI=1S/C14H19N5O3S/c1-14(2,3)18-23(21,22)12-6-4-11(5-7-12)17-13(20)8-19-10-15-9-16-19/h4-7,9-10,18H,8H2,1-3H3,(H,17,20)
InChIKeyBAPLLOADZVVNMT-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.99
Rot. Bonds5

About N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 19164234) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID19164234
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1
InChIInChI=1S/C14H19N5O3S/c1-14(2,3)18-23(21,22)12-6-4-11(5-7-12)17-13(20)8-19-10-15-9-16-19/h4-7,9-10,18H,8H2,1-3H3,(H,17,20)
InChIKeyBAPLLOADZVVNMT-UHFFFAOYSA-N
XLogP0.99
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 19164234) is N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is BAPLLOADZVVNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-14(2,3)18-23(21,22)12-6-4-11(5-7-12)17-13(20)8-19-10-15-9-16-19/h4-7,9-10,18H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 19164234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).