N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide

C20H29NO4S — CID 57207005

IUPACN-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide
SMILESCC(CCC(=O)NO)OCCC1C2CCC(O2)C1CSc1ccccc1
InChIInChI=1S/C20H29NO4S/c1-14(7-10-20(22)21-23)24-12-11-16-17(19-9-8-18(16)25-19)13-26-15-5-3-2-4-6-15/h2-6,14,16-19,23H,7-13H2,1H3,(H,21,22)
InChIKeyMMVXCJCYFHIWDV-UHFFFAOYSA-N
MW379.52 g/mol
LogP3.65
Rot. Bonds10

About N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide

N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide (PubChem CID 57207005) has the molecular formula C20H29NO4S and a molecular weight of 379.52 g/mol. Its IUPAC name is N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide
PubChem CID57207005
Molecular FormulaC20H29NO4S
Molecular Weight379.52 g/mol
Exact Mass379.18
IUPAC NameN-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide
SMILESCC(CCC(=O)NO)OCCC1C2CCC(O2)C1CSc1ccccc1
InChIInChI=1S/C20H29NO4S/c1-14(7-10-20(22)21-23)24-12-11-16-17(19-9-8-18(16)25-19)13-26-15-5-3-2-4-6-15/h2-6,14,16-19,23H,7-13H2,1H3,(H,21,22)
InChIKeyMMVXCJCYFHIWDV-UHFFFAOYSA-N
XLogP3.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide?
The IUPAC name of N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide (CID 57207005) is N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide.
What is the SMILES notation for N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide?
The canonical SMILES for N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide is CC(CCC(=O)NO)OCCC1C2CCC(O2)C1CSc1ccccc1.
What is the InChIKey of N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide?
The InChIKey is MMVXCJCYFHIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4S/c1-14(7-10-20(22)21-23)24-12-11-16-17(19-9-8-18(16)25-19)13-26-15-5-3-2-4-6-15/h2-6,14,16-19,23H,7-13H2,1H3,(H,21,22).
What are the key properties of N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide?
N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide has a molecular weight of 379.52 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[3-(phenylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethoxy]pentanamide is sourced from PubChem (CID 57207005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).