(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide

C17H26N2O5S — CID 110198431

IUPAC(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC
InChIInChI=1S/C17H26N2O5S/c1-3-11-25(21,22)19-13-15(24-14-7-5-4-6-8-14)12-16(19)17(20)18-9-10-23-2/h4-8,15-16H,3,9-13H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyWJMSWHPXKUIMOZ-HOTGVXAUSA-N
MW370.47 g/mol
LogP1.01
Rot. Bonds9

About (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide

(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110198431) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID110198431
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC
InChIInChI=1S/C17H26N2O5S/c1-3-11-25(21,22)19-13-15(24-14-7-5-4-6-8-14)12-16(19)17(20)18-9-10-23-2/h4-8,15-16H,3,9-13H2,1-2H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyWJMSWHPXKUIMOZ-HOTGVXAUSA-N
XLogP1.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide (CID 110198431) is (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NCCOC.
What is the InChIKey of (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WJMSWHPXKUIMOZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-3-11-25(21,22)19-13-15(24-14-7-5-4-6-8-14)12-16(19)17(20)18-9-10-23-2/h4-8,15-16H,3,9-13H2,1-2H3,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).