2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide

C19H25N3O4S — CID 53117628

IUPAC2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1cccc(Oc2ncccc2C(=O)NCCC(C)C)c1
InChIInChI=1S/C19H25N3O4S/c1-4-27(24,25)22-15-7-5-8-16(13-15)26-19-17(9-6-11-21-19)18(23)20-12-10-14(2)3/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,20,23)
InChIKeyDLLUTVXIRIVHBH-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.41
Rot. Bonds9

About 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide

2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 53117628) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID53117628
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1cccc(Oc2ncccc2C(=O)NCCC(C)C)c1
InChIInChI=1S/C19H25N3O4S/c1-4-27(24,25)22-15-7-5-8-16(13-15)26-19-17(9-6-11-21-19)18(23)20-12-10-14(2)3/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,20,23)
InChIKeyDLLUTVXIRIVHBH-UHFFFAOYSA-N
XLogP3.41
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117639
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
N-cyclopropyl-2-[3-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117722
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
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
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide (CID 53117628) is 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide is CCS(=O)(=O)Nc1cccc(Oc2ncccc2C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is DLLUTVXIRIVHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-27(24,25)22-15-7-5-8-16(13-15)26-19-17(9-6-11-21-19)18(23)20-12-10-14(2)3/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 53117628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).