N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide

C20H24N2O7S — CID 20712390

IUPACN,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(COc2ccc(S(=O)(=O)N3CC(O)CCC3C(=O)NO)cc2)cc1
InChIInChI=1S/C20H24N2O7S/c1-28-16-5-2-14(3-6-16)13-29-17-7-9-18(10-8-17)30(26,27)22-12-15(23)4-11-19(22)20(24)21-25/h2-3,5-10,15,19,23,25H,4,11-13H2,1H3,(H,21,24)
InChIKeyBONOSAKYDDKTIZ-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.29
Rot. Bonds7

About N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide

N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide (PubChem CID 20712390) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
PubChem CID20712390
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC NameN,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(COc2ccc(S(=O)(=O)N3CC(O)CCC3C(=O)NO)cc2)cc1
InChIInChI=1S/C20H24N2O7S/c1-28-16-5-2-14(3-6-16)13-29-17-7-9-18(10-8-17)30(26,27)22-12-15(23)4-11-19(22)20(24)21-25/h2-3,5-10,15,19,23,25H,4,11-13H2,1H3,(H,21,24)
InChIKeyBONOSAKYDDKTIZ-UHFFFAOYSA-N
XLogP1.29
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.29
H-Bond Donors ≤ 53
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 N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide (CID 20712390) is N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide is COc1ccc(COc2ccc(S(=O)(=O)N3CC(O)CCC3C(=O)NO)cc2)cc1.
What is the InChIKey of N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide?
The InChIKey is BONOSAKYDDKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-28-16-5-2-14(3-6-16)13-29-17-7-9-18(10-8-17)30(26,27)22-12-15(23)4-11-19(22)20(24)21-25/h2-3,5-10,15,19,23,25H,4,11-13H2,1H3,(H,21,24).
What are the key properties of N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide?
N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 20712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).