(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide

C24H26N4O3 — CID 128965826

IUPAC(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H26N4O3/c1-27(17-22(29)26-20-10-6-3-7-11-20)24(30)21-12-13-31-23(21)19-14-25-28(16-19)15-18-8-4-2-5-9-18/h2-11,14,16,21,23H,12-13,15,17H2,1H3,(H,26,29)/t21-,23+/m0/s1
InChIKeyXQZBJDPBIFEAIE-JTHBVZDNSA-N
MW418.50 g/mol
LogP3.11
Rot. Bonds7

About (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide

(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide (PubChem CID 128965826) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
PubChem CID128965826
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H26N4O3/c1-27(17-22(29)26-20-10-6-3-7-11-20)24(30)21-12-13-31-23(21)19-14-25-28(16-19)15-18-8-4-2-5-9-18/h2-11,14,16,21,23H,12-13,15,17H2,1H3,(H,26,29)/t21-,23+/m0/s1
InChIKeyXQZBJDPBIFEAIE-JTHBVZDNSA-N
XLogP3.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide 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

2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide
CID 129325519
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 128971293
(2S,3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966174
6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
CID 139343744
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 86991683
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide (CID 128965826) is (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
The InChIKey is XQZBJDPBIFEAIE-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27(17-22(29)26-20-10-6-3-7-11-20)24(30)21-12-13-31-23(21)19-14-25-28(16-19)15-18-8-4-2-5-9-18/h2-11,14,16,21,23H,12-13,15,17H2,1H3,(H,26,29)/t21-,23+/m0/s1.
What are the key properties of (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide?
(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 128965826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).