2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide

C19H21N5O — CID 95390659

IUPAC2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCc1nnnn1-c1ccccc1C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C19H21N5O/c1-14(12-13-16-8-4-3-5-9-16)20-19(25)17-10-6-7-11-18(17)24-15(2)21-22-23-24/h3-11,14H,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyPSUBFGDBAFNZRA-AWEZNQCLSA-N
MW335.41 g/mol
LogP2.72
Rot. Bonds6

About 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide

2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 95390659) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID95390659
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCc1nnnn1-c1ccccc1C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C19H21N5O/c1-14(12-13-16-8-4-3-5-9-16)20-19(25)17-10-6-7-11-18(17)24-15(2)21-22-23-24/h3-11,14H,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyPSUBFGDBAFNZRA-AWEZNQCLSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 71709929
N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 92614116
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
(2S)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7352243
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
N-[(2S)-4-phenylbutan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25475198
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 95390659) is 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide is Cc1nnnn1-c1ccccc1C(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is PSUBFGDBAFNZRA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14(12-13-16-8-4-3-5-9-16)20-19(25)17-10-6-7-11-18(17)24-15(2)21-22-23-24/h3-11,14H,12-13H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 95390659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).