6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide

C24H26N4O5S — CID 53120121

IUPAC6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1
InChIInChI=1S/C24H26N4O5S/c1-4-22(29)27-18-8-12-21(13-9-18)34(31,32)28-19-6-10-20(11-7-19)33-23-14-5-17(15-25-23)24(30)26-16(2)3/h5-16,28H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPTZPUNVFRJCUHR-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.16
Rot. Bonds9

About 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide

6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 53120121) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID53120121
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1
InChIInChI=1S/C24H26N4O5S/c1-4-22(29)27-18-8-12-21(13-9-18)34(31,32)28-19-6-10-20(11-7-19)33-23-14-5-17(15-25-23)24(30)26-16(2)3/h5-16,28H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPTZPUNVFRJCUHR-UHFFFAOYSA-N
XLogP4.16
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
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
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120139
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
6-(hydroxymethyl)-N-[4-(propanoylamino)phenyl]sulfonylpyridine-3-carboxamide
CID 67866388
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
CID 46389249

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide (CID 53120121) is 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1.
What is the InChIKey of 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is PTZPUNVFRJCUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-4-22(29)27-18-8-12-21(13-9-18)34(31,32)28-19-6-10-20(11-7-19)33-23-14-5-17(15-25-23)24(30)26-16(2)3/h5-16,28H,4H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide?
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 53120121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).