(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide

C16H21N3O2S — CID 129327175

IUPAC(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)[C@H](C)c2cccs2)cnn1C
InChIInChI=1S/C16H21N3O2S/c1-10(14-5-4-8-22-14)16(20)18-13-6-7-21-15(13)12-9-17-19(3)11(12)2/h4-5,8-10,13,15H,6-7H2,1-3H3,(H,18,20)/t10-,13+,15-/m1/s1
InChIKeyQUCCIOWTTSNJFO-RIEGTJTDSA-N
MW319.43 g/mol
LogP2.54
Rot. Bonds4

About (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide

(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide (PubChem CID 129327175) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
PubChem CID129327175
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
SMILESCc1c([C@H]2OCC[C@@H]2NC(=O)[C@H](C)c2cccs2)cnn1C
InChIInChI=1S/C16H21N3O2S/c1-10(14-5-4-8-22-14)16(20)18-13-6-7-21-15(13)12-9-17-19(3)11(12)2/h4-5,8-10,13,15H,6-7H2,1-3H3,(H,18,20)/t10-,13+,15-/m1/s1
InChIKeyQUCCIOWTTSNJFO-RIEGTJTDSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide (CID 129327175) is (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide is Cc1c([C@H]2OCC[C@@H]2NC(=O)[C@H](C)c2cccs2)cnn1C.
What is the InChIKey of (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
The InChIKey is QUCCIOWTTSNJFO-RIEGTJTDSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(14-5-4-8-22-14)16(20)18-13-6-7-21-15(13)12-9-17-19(3)11(12)2/h4-5,8-10,13,15H,6-7H2,1-3H3,(H,18,20)/t10-,13+,15-/m1/s1.
What are the key properties of (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 129327175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).