4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide

C19H20N6O4S — CID 122694176

IUPAC4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
SMILESCS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C19H20N6O4S/c1-30(27,28)19-16(17-22-24-25-23-17)15(6-9-20-19)12-2-4-13(5-3-12)18(26)21-14-7-10-29-11-8-14/h2-6,9,14H,7-8,10-11H2,1H3,(H,21,26)(H,22,23,24,25)
InChIKeyCFMMYBNZWLFKLJ-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.24
Rot. Bonds5

About 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide

4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide (PubChem CID 122694176) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
PubChem CID122694176
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Name4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
SMILESCS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C19H20N6O4S/c1-30(27,28)19-16(17-22-24-25-23-17)15(6-9-20-19)12-2-4-13(5-3-12)18(26)21-14-7-10-29-11-8-14/h2-6,9,14H,7-8,10-11H2,1H3,(H,21,26)(H,22,23,24,25)
InChIKeyCFMMYBNZWLFKLJ-UHFFFAOYSA-N
XLogP1.24
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
CID 118257170
N-Cyclopropyl-4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118257239
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694146
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 122694151
N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694157
2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 122694159
3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694189
4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide
CID 140751892
N-cyclopropyl-4-[2-sulfinamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 144893749
1-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]propan-2-one
CID 157856631

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide (CID 122694176) is 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide is CS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide?
The InChIKey is CFMMYBNZWLFKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-30(27,28)19-16(17-22-24-25-23-17)15(6-9-20-19)12-2-4-13(5-3-12)18(26)21-14-7-10-29-11-8-14/h2-6,9,14H,7-8,10-11H2,1H3,(H,21,26)(H,22,23,24,25).
What are the key properties of 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide?
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide has a molecular weight of 428.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 122694176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).