8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid

C26H32N2O4S — CID 10367365

IUPAC8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid
SMILESO=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1
InChIInChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30)
InChIKeyJPHQOWRMODKXHU-UHFFFAOYSA-N
MW468.62 g/mol
LogP5.19
Rot. Bonds14

About 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid

8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid (PubChem CID 10367365) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid.

Molecular Properties

Compound Name8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid
PubChem CID10367365
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC Name8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid
SMILESO=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1
InChIInChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30)
InChIKeyJPHQOWRMODKXHU-UHFFFAOYSA-N
XLogP5.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cgs 22652
CID 131717
8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic Acid
CID 9803080
6-(4-(2-((4-Chlorobenzene-1-sulfonyl)amino)ethyl)phenyl)-6-(pyridin-3-yl)hexanoic acid
CID 3077003
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
CID 10321942
4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylamino)-octanoic acid
CID 10432964
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-pyridin-4-ylmethyl-phenyl}-propionic acid
CID 19711412
3-Hexenoic acid, 6-(3-pyridinyl)-6-(4-(2-(((4-(trifluoromethyl)phenyl)sulfonyl)amino)ethyl)phenyl)-
CID 6449278
8-(4-Chloro-benzenesulfonylamino)-2-(5-pyridin-3-yl-pentyl)-octanoic acid
CID 9982645
8-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid
CID 10005641
8-(4-Chloro-benzenesulfonylamino)-7-pyridin-3-yl-octanoic acid
CID 10047212
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid
CID 10072583
8-(4-Chloro-benzenesulfonylamino)-3-(4-pyridin-3-yl-butyl)-octanoic acid
CID 10073256

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid?
The IUPAC name of 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid (CID 10367365) is 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid.
What is the SMILES notation for 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid?
The canonical SMILES for 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid is O=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1.
What is the InChIKey of 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid?
The InChIKey is JPHQOWRMODKXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30).
What are the key properties of 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid?
8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid has a molecular weight of 468.62 g/mol, XLogP of 5.19, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid is sourced from PubChem (CID 10367365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).