N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C24H25N3O6S — CID 53117672

IUPACN-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)cc1OC
InChIInChI=1S/C24H25N3O6S/c1-31-21-12-11-19(15-22(21)32-2)34(29,30)27-17-8-4-9-18(14-17)33-24-20(10-5-13-25-24)23(28)26-16-6-3-7-16/h4-5,8-16,27H,3,6-7H2,1-2H3,(H,26,28)
InChIKeyQXPWLUSTQGJIAW-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.97
Rot. Bonds9

About N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 53117672) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID53117672
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)cc1OC
InChIInChI=1S/C24H25N3O6S/c1-31-21-12-11-19(15-22(21)32-2)34(29,30)27-17-8-4-9-18(14-17)33-24-20(10-5-13-25-24)23(28)26-16-6-3-7-16/h4-5,8-16,27H,3,6-7H2,1-2H3,(H,26,28)
InChIKeyQXPWLUSTQGJIAW-UHFFFAOYSA-N
XLogP3.97
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclobutyl-2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117671
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-[3-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53117717
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117722
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088433
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
N-cyclopropyl-3-[(3,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 109062347
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 53117672) is N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is COc1ccc(S(=O)(=O)Nc2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)cc1OC.
What is the InChIKey of N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is QXPWLUSTQGJIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-31-21-12-11-19(15-22(21)32-2)34(29,30)27-17-8-4-9-18(14-17)33-24-20(10-5-13-25-24)23(28)26-16-6-3-7-16/h4-5,8-16,27H,3,6-7H2,1-2H3,(H,26,28).
What are the key properties of N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53117672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).