N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C15H16N6O4S2 — CID 24581212

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C15H16N6O4S2/c1-19(2)27(24,25)12-7-5-11(6-8-12)16-13(22)10-20-15(23)21(18-17-20)14-4-3-9-26-14/h3-9H,10H2,1-2H3,(H,16,22)
InChIKeyRUONVXYMIPTKST-UHFFFAOYSA-N
MW408.47 g/mol
LogP0.38
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24581212) has the molecular formula C15H16N6O4S2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24581212
Molecular FormulaC15H16N6O4S2
Molecular Weight408.47 g/mol
Exact Mass408.07
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C15H16N6O4S2/c1-19(2)27(24,25)12-7-5-11(6-8-12)16-13(22)10-20-15(23)21(18-17-20)14-4-3-9-26-14/h3-9H,10H2,1-2H3,(H,16,22)
InChIKeyRUONVXYMIPTKST-UHFFFAOYSA-N
XLogP0.38
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24581212) is N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is RUONVXYMIPTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4S2/c1-19(2)27(24,25)12-7-5-11(6-8-12)16-13(22)10-20-15(23)21(18-17-20)14-4-3-9-26-14/h3-9H,10H2,1-2H3,(H,16,22).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 408.47 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24581212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).