(2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide

C18H26N2O4S — CID 154988417

IUPAC(2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide
SMILESCCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H26N2O4S/c1-4-6-13-11-20(15(5-2)17(19)21)18(22)16(13)25(23,24)14-9-7-12(3)8-10-14/h7-10,13,15-16H,4-6,11H2,1-3H3,(H2,19,21)/t13-,15-,16?/m0/s1
InChIKeyAQOBZMUHLWWAPS-JFXOEICMSA-N
MW366.48 g/mol
LogP1.66
Rot. Bonds7

About (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide

(2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide (PubChem CID 154988417) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide
PubChem CID154988417
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide
SMILESCCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H26N2O4S/c1-4-6-13-11-20(15(5-2)17(19)21)18(22)16(13)25(23,24)14-9-7-12(3)8-10-14/h7-10,13,15-16H,4-6,11H2,1-3H3,(H2,19,21)/t13-,15-,16?/m0/s1
InChIKeyAQOBZMUHLWWAPS-JFXOEICMSA-N
XLogP1.66
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide (CID 154988417) is (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide is CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
The InChIKey is AQOBZMUHLWWAPS-JFXOEICMSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-6-13-11-20(15(5-2)17(19)21)18(22)16(13)25(23,24)14-9-7-12(3)8-10-14/h7-10,13,15-16H,4-6,11H2,1-3H3,(H2,19,21)/t13-,15-,16?/m0/s1.
What are the key properties of (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
(2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide has a molecular weight of 366.48 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-4-propylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 154988417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).