2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide

C23H25N3O4S — CID 53117682

IUPAC2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C23H25N3O4S/c1-4-12-24-22(27)20-9-6-13-25-23(20)30-19-8-5-7-18(15-19)26-31(28,29)21-14-16(2)10-11-17(21)3/h5-11,13-15,26H,4,12H2,1-3H3,(H,24,27)
InChIKeyRJZYEOVIIKTFNG-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.43
Rot. Bonds8

About 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide

2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide (PubChem CID 53117682) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
PubChem CID53117682
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C23H25N3O4S/c1-4-12-24-22(27)20-9-6-13-25-23(20)30-19-8-5-7-18(15-19)26-31(28,29)21-14-16(2)10-11-17(21)3/h5-11,13-15,26H,4,12H2,1-3H3,(H,24,27)
InChIKeyRJZYEOVIIKTFNG-UHFFFAOYSA-N
XLogP4.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117639
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088438
2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53117628
2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284
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-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089271
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide (CID 53117682) is 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
The InChIKey is RJZYEOVIIKTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-4-12-24-22(27)20-9-6-13-25-23(20)30-19-8-5-7-18(15-19)26-31(28,29)21-14-16(2)10-11-17(21)3/h5-11,13-15,26H,4,12H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide?
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 53117682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).