(2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

C18H26N2O4S — CID 11849702

IUPAC(2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1
InChIKeyQMXJGKCMTOHGDZ-ZYMOGRSISA-N
MW366.48 g/mol
LogP1.51
Rot. Bonds9

About (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

(2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 11849702) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID11849702
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1
InChIKeyQMXJGKCMTOHGDZ-ZYMOGRSISA-N
XLogP1.51
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CID 11849702) is (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(C=O)Cc1ccccc1.
What is the InChIKey of (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is QMXJGKCMTOHGDZ-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1.
What are the key properties of (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butylsulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11849702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).