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

C21H20N6O4S2 — CID 24581361

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C21H20N6O4S2/c1-25(14-16-6-3-2-4-7-16)33(30,31)18-11-9-17(10-12-18)22-19(28)15-26-21(29)27(24-23-26)20-8-5-13-32-20/h2-13H,14-15H2,1H3,(H,22,28)
InChIKeyHOAQOBOTASXPMV-UHFFFAOYSA-N
MW484.56 g/mol
LogP1.95
Rot. Bonds8

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

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24581361) has the molecular formula C21H20N6O4S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24581361
Molecular FormulaC21H20N6O4S2
Molecular Weight484.56 g/mol
Exact Mass484.10
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1
InChIInChI=1S/C21H20N6O4S2/c1-25(14-16-6-3-2-4-7-16)33(30,31)18-11-9-17(10-12-18)22-19(28)15-26-21(29)27(24-23-26)20-8-5-13-32-20/h2-13H,14-15H2,1H3,(H,22,28)
InChIKeyHOAQOBOTASXPMV-UHFFFAOYSA-N
XLogP1.95
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581212
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 171668777
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35342187
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 43039485
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24581361) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is HOAQOBOTASXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S2/c1-25(14-16-6-3-2-4-7-16)33(30,31)18-11-9-17(10-12-18)22-19(28)15-26-21(29)27(24-23-26)20-8-5-13-32-20/h2-13H,14-15H2,1H3,(H,22,28).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 484.56 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24581361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).