N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide

C26H32N2O5S — CID 139624580

IUPACN-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccoc2)CC1
InChIInChI=1S/C26H32N2O5S/c1-34(29,30)27-24-10-5-6-11-25(24)32-18-7-15-28-16-12-23(13-17-28)33-26(22-14-19-31-20-22)21-8-3-2-4-9-21/h2-6,8-11,14,19-20,23,26-27H,7,12-13,15-18H2,1H3
InChIKeyXHALRKDJHHIARL-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.69
Rot. Bonds11

About N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide

N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide (PubChem CID 139624580) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
PubChem CID139624580
Molecular FormulaC26H32N2O5S
Molecular Weight484.62 g/mol
Exact Mass484.20
IUPAC NameN-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccoc2)CC1
InChIInChI=1S/C26H32N2O5S/c1-34(29,30)27-24-10-5-6-11-25(24)32-18-7-15-28-16-12-23(13-17-28)33-26(22-14-19-31-20-22)21-8-3-2-4-9-21/h2-6,8-11,14,19-20,23,26-27H,7,12-13,15-18H2,1H3
InChIKeyXHALRKDJHHIARL-UHFFFAOYSA-N
XLogP4.69
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide (CID 139624580) is N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccccc2)c2ccoc2)CC1.
What is the InChIKey of N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
The InChIKey is XHALRKDJHHIARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-34(29,30)27-24-10-5-6-11-25(24)32-18-7-15-28-16-12-23(13-17-28)33-26(22-14-19-31-20-22)21-8-3-2-4-9-21/h2-6,8-11,14,19-20,23,26-27H,7,12-13,15-18H2,1H3.
What are the key properties of N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide has a molecular weight of 484.62 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 139624580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).