N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide

C26H24N2O5S — CID 14650342

IUPACN-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide
SMILESO=C(CCCOc1ccc(OCc2ccc3ccccc3n2)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H24N2O5S/c29-26(28-34(30,31)24-8-2-1-3-9-24)11-6-18-32-22-14-16-23(17-15-22)33-19-21-13-12-20-7-4-5-10-25(20)27-21/h1-5,7-10,12-17H,6,11,18-19H2,(H,28,29)
InChIKeyCLXLXWOOKSJSED-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.48
Rot. Bonds10

About N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide

N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide (PubChem CID 14650342) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide
PubChem CID14650342
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC NameN-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide
SMILESO=C(CCCOc1ccc(OCc2ccc3ccccc3n2)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H24N2O5S/c29-26(28-34(30,31)24-8-2-1-3-9-24)11-6-18-32-22-14-16-23(17-15-22)33-19-21-13-12-20-7-4-5-10-25(20)27-21/h1-5,7-10,12-17H,6,11,18-19H2,(H,28,29)
InChIKeyCLXLXWOOKSJSED-UHFFFAOYSA-N
XLogP4.48
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.48
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-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide?
The IUPAC name of N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide (CID 14650342) is N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide is O=C(CCCOc1ccc(OCc2ccc3ccccc3n2)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide?
The InChIKey is CLXLXWOOKSJSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c29-26(28-34(30,31)24-8-2-1-3-9-24)11-6-18-32-22-14-16-23(17-15-22)33-19-21-13-12-20-7-4-5-10-25(20)27-21/h1-5,7-10,12-17H,6,11,18-19H2,(H,28,29).
What are the key properties of N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide?
N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide has a molecular weight of 476.55 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[4-(quinolin-2-ylmethoxy)phenoxy]butanamide is sourced from PubChem (CID 14650342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).