2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide

C17H21N3O4S — CID 126826594

IUPAC2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide
SMILESCC(C(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-11(12-3-5-13(6-4-12)25(2,22)23)17(21)19-14-8-10-24-16(14)15-7-9-18-20-15/h3-7,9,11,14,16H,8,10H2,1-2H3,(H,18,20)(H,19,21)/t11?,14-,16-/m1/s1
InChIKeyYWUDNMOFXMGORL-PXFYRTPJSA-N
MW363.44 g/mol
LogP1.56
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide

2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide (PubChem CID 126826594) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide
PubChem CID126826594
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide
SMILESCC(C(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-11(12-3-5-13(6-4-12)25(2,22)23)17(21)19-14-8-10-24-16(14)15-7-9-18-20-15/h3-7,9,11,14,16H,8,10H2,1-2H3,(H,18,20)(H,19,21)/t11?,14-,16-/m1/s1
InChIKeyYWUDNMOFXMGORL-PXFYRTPJSA-N
XLogP1.56
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]carbamoyl]benzenesulfonyl fluoride
CID 164629447
5-cyclohexyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]thiophene-3-carboxamide
CID 164630111
2,3-dimethyl-5-methylsulfonyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
CID 164643441
4-fluoro-3-(methylsulfanylmethyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
CID 136584456
CID 138989424
CID 138989424
N-[2-hydroxy-2-[4-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]ethyl]cyclohexanecarboxamide
CID 140471578
N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
CID 126824851
2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
CID 126826596
(2S,3S)-2-[2-(3-methoxypropyl)pyrazol-3-yl]-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]oxolane-3-carboxamide
CID 128974292
(2S,3S)-2-[2-(3-methoxypropyl)pyrazol-3-yl]-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]oxolane-3-carboxamide
CID 129323800
(2S,3S)-2-[2-(3-methoxypropyl)pyrazol-3-yl]-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]oxolane-3-carboxamide
CID 129323801
2,3-dimethyl-5-methylsulfonyl-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]benzamide
CID 132321975

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide (CID 126826594) is 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide is CC(C(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide?
The InChIKey is YWUDNMOFXMGORL-PXFYRTPJSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11(12-3-5-13(6-4-12)25(2,22)23)17(21)19-14-8-10-24-16(14)15-7-9-18-20-15/h3-7,9,11,14,16H,8,10H2,1-2H3,(H,18,20)(H,19,21)/t11?,14-,16-/m1/s1.
What are the key properties of 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide?
2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]propanamide is sourced from PubChem (CID 126826594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).