2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

C20H20N6O2 — CID 95553473

IUPAC2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESCN1C(=O)[C@](CC(=O)NCc2nn[nH]n2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N6O2/c1-26-16-10-6-5-9-15(16)20(19(26)28,11-14-7-3-2-4-8-14)12-18(27)21-13-17-22-24-25-23-17/h2-10H,11-13H2,1H3,(H,21,27)(H,22,23,24,25)/t20-/m0/s1
InChIKeyQHKKLWGPTGLBFN-FQEVSTJZSA-N
MW376.42 g/mol
LogP1.36
Rot. Bonds6

About 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 95553473) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID95553473
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESCN1C(=O)[C@](CC(=O)NCc2nn[nH]n2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N6O2/c1-26-16-10-6-5-9-15(16)20(19(26)28,11-14-7-3-2-4-8-14)12-18(27)21-13-17-22-24-25-23-17/h2-10H,11-13H2,1H3,(H,21,27)(H,22,23,24,25)/t20-/m0/s1
InChIKeyQHKKLWGPTGLBFN-FQEVSTJZSA-N
XLogP1.36
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95562977
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56862333
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 95555980
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 56864431
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
2-[[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]amino]-2-methylpropanamide
CID 95543110
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(3-methoxypropyl)acetamide
CID 56871682
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 95563231

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 95553473) is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is CN1C(=O)[C@](CC(=O)NCc2nn[nH]n2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is QHKKLWGPTGLBFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-26-16-10-6-5-9-15(16)20(19(26)28,11-14-7-3-2-4-8-14)12-18(27)21-13-17-22-24-25-23-17/h2-10H,11-13H2,1H3,(H,21,27)(H,22,23,24,25)/t20-/m0/s1.
What are the key properties of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 95553473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).