(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide

C17H24N2O5S — CID 154988425

IUPAC(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide
SMILESCCC[C@H]1C(O)N([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H24N2O5S/c1-3-8-12-14(25(23,24)11-9-6-5-7-10-11)17(22)19(16(12)21)13(4-2)15(18)20/h5-7,9-10,12-14,16,21H,3-4,8H2,1-2H3,(H2,18,20)/t12-,13+,14?,16?/m1/s1
InChIKeyODWGIOXRNSRQSR-NNNQGMHWSA-N
MW368.46 g/mol
LogP0.67
Rot. Bonds7

About (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide

(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide (PubChem CID 154988425) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide
PubChem CID154988425
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide
SMILESCCC[C@H]1C(O)N([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H24N2O5S/c1-3-8-12-14(25(23,24)11-9-6-5-7-10-11)17(22)19(16(12)21)13(4-2)15(18)20/h5-7,9-10,12-14,16,21H,3-4,8H2,1-2H3,(H2,18,20)/t12-,13+,14?,16?/m1/s1
InChIKeyODWGIOXRNSRQSR-NNNQGMHWSA-N
XLogP0.67
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9836943
CID 9836943
CID 88198984
CID 88198984
CID 164890272
CID 164890272
CID 67474575
CID 67474575
CID 154988413
CID 154988413
CID 154988416
CID 154988416
CID 154988417
CID 154988417
CID 154988423
CID 154988423
CID 154988443
CID 154988443
CID 154988449
CID 154988449
CID 172838637
CID 172838637
CID 172851245
CID 172851245

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide (CID 154988425) is (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide is CCC[C@H]1C(O)N([C@@H](CC)C(N)=O)C(=O)C1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide?
The InChIKey is ODWGIOXRNSRQSR-NNNQGMHWSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-8-12-14(25(23,24)11-9-6-5-7-10-11)17(22)19(16(12)21)13(4-2)15(18)20/h5-7,9-10,12-14,16,21H,3-4,8H2,1-2H3,(H2,18,20)/t12-,13+,14?,16?/m1/s1.
What are the key properties of (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide?
(2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide has a molecular weight of 368.46 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-4-(benzenesulfonyl)-2-hydroxy-5-oxo-3-propylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 154988425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).