4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C25H32N2O6S — CID 46891312

IUPAC4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCCOc1ccccc1C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1
InChIInChI=1S/C25H32N2O6S/c1-2-33-23-6-4-3-5-22(23)19-11-15-27(16-12-19)20-7-9-21(10-8-20)34(30,31)25(24(28)26-29)13-17-32-18-14-25/h3-10,19,29H,2,11-18H2,1H3,(H,26,28)
InChIKeyDNPNWGZXJBALIP-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.30
Rot. Bonds7

About 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 46891312) has the molecular formula C25H32N2O6S and a molecular weight of 488.61 g/mol. Its IUPAC name is 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID46891312
Molecular FormulaC25H32N2O6S
Molecular Weight488.61 g/mol
Exact Mass488.20
IUPAC Name4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCCOc1ccccc1C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1
InChIInChI=1S/C25H32N2O6S/c1-2-33-23-6-4-3-5-22(23)19-11-15-27(16-12-19)20-7-9-21(10-8-20)34(30,31)25(24(28)26-29)13-17-32-18-14-25/h3-10,19,29H,2,11-18H2,1H3,(H,26,28)
InChIKeyDNPNWGZXJBALIP-UHFFFAOYSA-N
XLogP3.30
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 46891312) is 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CCOc1ccccc1C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1.
What is the InChIKey of 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is DNPNWGZXJBALIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6S/c1-2-33-23-6-4-3-5-22(23)19-11-15-27(16-12-19)20-7-9-21(10-8-20)34(30,31)25(24(28)26-29)13-17-32-18-14-25/h3-10,19,29H,2,11-18H2,1H3,(H,26,28).
What are the key properties of 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-ethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 46891312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).