4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide

C22H26N2O5S — CID 122488241

IUPAC4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
SMILESO=C(N[C@@H](CCO)C(=O)N1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5S/c25-16-13-20(22(27)24-14-5-2-6-15-24)23-21(26)17-9-11-19(12-10-17)30(28,29)18-7-3-1-4-8-18/h1,3-4,7-12,20,25H,2,5-6,13-16H2,(H,23,26)/t20-/m0/s1
InChIKeySJKBAGGFXWVIKC-FQEVSTJZSA-N
MW430.53 g/mol
LogP2.01
Rot. Bonds7

About 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide

4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide (PubChem CID 122488241) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
PubChem CID122488241
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
SMILESO=C(N[C@@H](CCO)C(=O)N1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5S/c25-16-13-20(22(27)24-14-5-2-6-15-24)23-21(26)17-9-11-19(12-10-17)30(28,29)18-7-3-1-4-8-18/h1,3-4,7-12,20,25H,2,5-6,13-16H2,(H,23,26)/t20-/m0/s1
InChIKeySJKBAGGFXWVIKC-FQEVSTJZSA-N
XLogP2.01
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide (CID 122488241) is 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide is O=C(N[C@@H](CCO)C(=O)N1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
The InChIKey is SJKBAGGFXWVIKC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-16-13-20(22(27)24-14-5-2-6-15-24)23-21(26)17-9-11-19(12-10-17)30(28,29)18-7-3-1-4-8-18/h1,3-4,7-12,20,25H,2,5-6,13-16H2,(H,23,26)/t20-/m0/s1.
What are the key properties of 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide?
4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(2S)-4-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide is sourced from PubChem (CID 122488241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).