2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide

C26H36N2O6S — CID 45357244

IUPAC2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)NO)cc1
InChIInChI=1S/C26H36N2O6S/c1-3-33-22-12-14-24(15-13-22)35(31,32)26(2,25(29)27-30)20-21-8-10-23(11-9-21)34-19-7-18-28-16-5-4-6-17-28/h8-15,30H,3-7,16-20H2,1-2H3,(H,27,29)
InChIKeyXIWBATQDQYFBOH-UHFFFAOYSA-N
MW504.65 g/mol
LogP3.62
Rot. Bonds12

About 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide

2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide (PubChem CID 45357244) has the molecular formula C26H36N2O6S and a molecular weight of 504.65 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
PubChem CID45357244
Molecular FormulaC26H36N2O6S
Molecular Weight504.65 g/mol
Exact Mass504.23
IUPAC Name2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)NO)cc1
InChIInChI=1S/C26H36N2O6S/c1-3-33-22-12-14-24(15-13-22)35(31,32)26(2,25(29)27-30)20-21-8-10-23(11-9-21)34-19-7-18-28-16-5-4-6-17-28/h8-15,30H,3-7,16-20H2,1-2H3,(H,27,29)
InChIKeyXIWBATQDQYFBOH-UHFFFAOYSA-N
XLogP3.62
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-butoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanamide
CID 57402753
2-(4-bromophenyl)sulfonyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid
CID 18416813
3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide
CID 18431233
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 177234140
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]butanamide
CID 133246297
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2-methylpropanamide
CID 100692930
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide (CID 45357244) is 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide is CCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)NO)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
The InChIKey is XIWBATQDQYFBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6S/c1-3-33-22-12-14-24(15-13-22)35(31,32)26(2,25(29)27-30)20-21-8-10-23(11-9-21)34-19-7-18-28-16-5-4-6-17-28/h8-15,30H,3-7,16-20H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide has a molecular weight of 504.65 g/mol, XLogP of 3.62, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide is sourced from PubChem (CID 45357244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).