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N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide

C25H27N3O4S — CID 53117722

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-17(2)15-18-8-12-22(13-9-18)33(30,31)28-20-5-3-6-21(16-20)32-25-23(7-4-14-26-25)24(29)27-19-10-11-19/h3-9,12-14,16-17,19,28H,10-11,15H2,1-2H3,(H,27,29)
InChIKeySCJIQVAHBJQDEN-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.77
Rot. Bonds9

About N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide

N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 53117722) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID53117722
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-17(2)15-18-8-12-22(13-9-18)33(30,31)28-20-5-3-6-21(16-20)32-25-23(7-4-14-26-25)24(29)27-19-10-11-19/h3-9,12-14,16-17,19,28H,10-11,15H2,1-2H3,(H,27,29)
InChIKeySCJIQVAHBJQDEN-UHFFFAOYSA-N
XLogP4.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 53117722) is N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is SCJIQVAHBJQDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17(2)15-18-8-12-22(13-9-18)33(30,31)28-20-5-3-6-21(16-20)32-25-23(7-4-14-26-25)24(29)27-19-10-11-19/h3-9,12-14,16-17,19,28H,10-11,15H2,1-2H3,(H,27,29).
What are the key properties of N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53117722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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