2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide

C22H23N5O2 — CID 95555980

IUPAC2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCN1C(=O)[C@](CC(=O)NCCn2cnnc2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H23N5O2/c1-26-19-10-6-5-9-18(19)22(21(26)29,13-17-7-3-2-4-8-17)14-20(28)23-11-12-27-15-24-25-16-27/h2-10,15-16H,11-14H2,1H3,(H,23,28)/t22-/m0/s1
InChIKeyRGZACMMZFZBLOT-QFIPXVFZSA-N
MW389.46 g/mol
LogP1.94
Rot. Bonds7

About 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide

2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide (PubChem CID 95555980) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
PubChem CID95555980
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
SMILESCN1C(=O)[C@](CC(=O)NCCn2cnnc2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H23N5O2/c1-26-19-10-6-5-9-18(19)22(21(26)29,13-17-7-3-2-4-8-17)14-20(28)23-11-12-27-15-24-25-16-27/h2-10,15-16H,11-14H2,1H3,(H,23,28)/t22-/m0/s1
InChIKeyRGZACMMZFZBLOT-QFIPXVFZSA-N
XLogP1.94
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide with MolForge

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Related Compounds

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-phenylacetamide
CID 56873238
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
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-(2H-tetrazol-5-ylmethyl)acetamide
CID 95553473
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 156586625
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95562977
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 95532207
3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 56861384

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide (CID 95555980) is 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide is CN1C(=O)[C@](CC(=O)NCCn2cnnc2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
The InChIKey is RGZACMMZFZBLOT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26-19-10-6-5-9-18(19)22(21(26)29,13-17-7-3-2-4-8-17)14-20(28)23-11-12-27-15-24-25-16-27/h2-10,15-16H,11-14H2,1H3,(H,23,28)/t22-/m0/s1.
What are the key properties of 2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide?
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 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-[2-(1,2,4-triazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 95555980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).