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

C17H24N2O4S — CID 154988443

IUPAC(2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide
SMILESCCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H24N2O4S/c1-3-8-12-11-19(14(4-2)16(18)20)17(21)15(12)24(22,23)13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,3-4,8,11H2,1-2H3,(H2,18,20)/t12-,14-,15?/m0/s1
InChIKeyMSAZIOYQTOXDQN-XRJCJLGXSA-N
MW352.46 g/mol
LogP1.35
Rot. Bonds7

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

(2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide (PubChem CID 154988443) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide
PubChem CID154988443
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide
SMILESCCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H24N2O4S/c1-3-8-12-11-19(14(4-2)16(18)20)17(21)15(12)24(22,23)13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,3-4,8,11H2,1-2H3,(H2,18,20)/t12-,14-,15?/m0/s1
InChIKeyMSAZIOYQTOXDQN-XRJCJLGXSA-N
XLogP1.35
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.35
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-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide (CID 154988443) is (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide is CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
The InChIKey is MSAZIOYQTOXDQN-XRJCJLGXSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-8-12-11-19(14(4-2)16(18)20)17(21)15(12)24(22,23)13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,3-4,8,11H2,1-2H3,(H2,18,20)/t12-,14-,15?/m0/s1.
What are the key properties of (2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide?
(2S)-2-[(4S)-3-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide has a molecular weight of 352.46 g/mol, XLogP of 1.35, 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-(benzenesulfonyl)-2-oxo-4-propylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 154988443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).