6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide

C25H29N3O4S — CID 53120091

IUPAC6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NCCC(C)C)cn3)cc2)cc1C
InChIInChI=1S/C25H29N3O4S/c1-17(2)13-14-26-25(29)20-6-12-24(27-16-20)32-22-9-7-21(8-10-22)28-33(30,31)23-11-5-18(3)19(4)15-23/h5-12,15-17,28H,13-14H2,1-4H3,(H,26,29)
InChIKeyUSIAOVYBLVOWIH-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.07
Rot. Bonds9

About 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide

6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 53120091) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID53120091
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NCCC(C)C)cn3)cc2)cc1C
InChIInChI=1S/C25H29N3O4S/c1-17(2)13-14-26-25(29)20-6-12-24(27-16-20)32-22-9-7-21(8-10-22)28-33(30,31)23-11-5-18(3)19(4)15-23/h5-12,15-17,28H,13-14H2,1-4H3,(H,26,29)
InChIKeyUSIAOVYBLVOWIH-UHFFFAOYSA-N
XLogP5.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
CID 53120146
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120139
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide (CID 53120091) is 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NCCC(C)C)cn3)cc2)cc1C.
What is the InChIKey of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is USIAOVYBLVOWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-17(2)13-14-26-25(29)20-6-12-24(27-16-20)32-22-9-7-21(8-10-22)28-33(30,31)23-11-5-18(3)19(4)15-23/h5-12,15-17,28H,13-14H2,1-4H3,(H,26,29).
What are the key properties of 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide?
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 5.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 53120091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).