3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide

C24H23N5O5S — CID 21060727

IUPAC3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(CO)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(-c3noc(-c4ccccn4)n3)cc2)c1
InChIInChI=1S/C24H23N5O5S/c1-24(2,15-30)23(31)26-17-6-5-7-18(14-17)29-35(32,33)19-11-9-16(10-12-19)21-27-22(34-28-21)20-8-3-4-13-25-20/h3-14,29-30H,15H2,1-2H3,(H,26,31)
InChIKeyFQXQKEHJHSKGME-UHFFFAOYSA-N
MW493.55 g/mol
LogP3.56
Rot. Bonds8

About 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide

3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 21060727) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
PubChem CID21060727
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC Name3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
SMILESCC(C)(CO)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(-c3noc(-c4ccccn4)n3)cc2)c1
InChIInChI=1S/C24H23N5O5S/c1-24(2,15-30)23(31)26-17-6-5-7-18(14-17)29-35(32,33)19-11-9-16(10-12-19)21-27-22(34-28-21)20-8-3-4-13-25-20/h3-14,29-30H,15H2,1-2H3,(H,26,31)
InChIKeyFQXQKEHJHSKGME-UHFFFAOYSA-N
XLogP3.56
TPSA147.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060725
N-[3-[[4-[5-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 58714475
3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060695
N-[3-[[4-[5-[2-(3-aminopropylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061388
N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21060751
3-chloro-2,2-dimethyl-N-[3-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060690
N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061357
N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061433
3-chloro-2,2-dimethyl-N-[4-[[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060691
ethane;3-fluoro-2,2-dimethyl-N-[3-[[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfanylamino]phenyl]propanamide
CID 142181099
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155561483
CID 58714494
CID 58714494

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 21060727) is 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(C)(CO)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(-c3noc(-c4ccccn4)n3)cc2)c1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
The InChIKey is FQXQKEHJHSKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-24(2,15-30)23(31)26-17-6-5-7-18(14-17)29-35(32,33)19-11-9-16(10-12-19)21-27-22(34-28-21)20-8-3-4-13-25-20/h3-14,29-30H,15H2,1-2H3,(H,26,31).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?
3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 493.55 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 21060727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).