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

C15H22N2O4S — CID 110198322

IUPAC(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC
InChIInChI=1S/C15H22N2O4S/c1-3-9-22(19,20)17-11-13(10-14(17)15(18)16-2)21-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyFVQDDASFIHKLAB-KBPBESRZSA-N
MW326.42 g/mol
LogP0.99
Rot. Bonds6

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

(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110198322) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID110198322
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC
InChIInChI=1S/C15H22N2O4S/c1-3-9-22(19,20)17-11-13(10-14(17)15(18)16-2)21-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyFVQDDASFIHKLAB-KBPBESRZSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide (CID 110198322) is (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)NC.
What is the InChIKey of (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FVQDDASFIHKLAB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-9-22(19,20)17-11-13(10-14(17)15(18)16-2)21-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide?
(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110198322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).