6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide

C22H23N3O4S — CID 53120026

IUPAC6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc1
InChIInChI=1S/C22H23N3O4S/c1-4-23-22(26)17-7-12-21(24-14-17)29-19-10-8-18(9-11-19)25-30(27,28)20-13-15(2)5-6-16(20)3/h5-14,25H,4H2,1-3H3,(H,23,26)
InChIKeyWECJJLIFUFVEFO-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.04
Rot. Bonds7

About 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide

6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide (PubChem CID 53120026) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
PubChem CID53120026
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc1
InChIInChI=1S/C22H23N3O4S/c1-4-23-22(26)17-7-12-21(24-14-17)29-19-10-8-18(9-11-19)25-30(27,28)20-13-15(2)5-6-16(20)3/h5-14,25H,4H2,1-3H3,(H,23,26)
InChIKeyWECJJLIFUFVEFO-UHFFFAOYSA-N
XLogP4.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
CID 53120146
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120139
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide (CID 53120026) is 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc1.
What is the InChIKey of 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
The InChIKey is WECJJLIFUFVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-4-23-22(26)17-7-12-21(24-14-17)29-19-10-8-18(9-11-19)25-30(27,28)20-13-15(2)5-6-16(20)3/h5-14,25H,4H2,1-3H3,(H,23,26).
What are the key properties of 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide?
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 53120026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).