N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C26H31N3O4S — CID 53120148

IUPACN-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1
InChIInChI=1S/C26H31N3O4S/c1-6-18(2)28-25(30)19-7-16-24(27-17-19)33-22-12-10-21(11-13-22)29-34(31,32)23-14-8-20(9-15-23)26(3,4)5/h7-18,29H,6H2,1-5H3,(H,28,30)
InChIKeyABHUQBAVNANZHP-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.50
Rot. Bonds8

About N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 53120148) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID53120148
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1
InChIInChI=1S/C26H31N3O4S/c1-6-18(2)28-25(30)19-7-16-24(27-17-19)33-22-12-10-21(11-13-22)29-34(31,32)23-14-8-20(9-15-23)26(3,4)5/h7-18,29H,6H2,1-5H3,(H,28,30)
InChIKeyABHUQBAVNANZHP-UHFFFAOYSA-N
XLogP5.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
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
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
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-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 53120148) is N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is CCC(C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)nc1.
What is the InChIKey of N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is ABHUQBAVNANZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-6-18(2)28-25(30)19-7-16-24(27-17-19)33-22-12-10-21(11-13-22)29-34(31,32)23-14-8-20(9-15-23)26(3,4)5/h7-18,29H,6H2,1-5H3,(H,28,30).
What are the key properties of N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53120148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).