N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide

C25H23N5O5S — CID 177113765

IUPACN-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C)C2)cc1S(=O)(=O)NC(=O)c1ccc2c(-n3cccn3)cccc2n1
InChIInChI=1S/C25H23N5O5S/c1-25(2)15-20(28-35-25)16-8-11-22(34-3)23(14-16)36(32,33)29-24(31)19-10-9-17-18(27-19)6-4-7-21(17)30-13-5-12-26-30/h4-14H,15H2,1-3H3,(H,29,31)
InChIKeyJPYKNMSPVBXHPJ-UHFFFAOYSA-N
MW505.56 g/mol
LogP3.45
Rot. Bonds6

About N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide

N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide (PubChem CID 177113765) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide
PubChem CID177113765
Molecular FormulaC25H23N5O5S
Molecular Weight505.56 g/mol
Exact Mass505.14
IUPAC NameN-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C)C2)cc1S(=O)(=O)NC(=O)c1ccc2c(-n3cccn3)cccc2n1
InChIInChI=1S/C25H23N5O5S/c1-25(2)15-20(28-35-25)16-8-11-22(34-3)23(14-16)36(32,33)29-24(31)19-10-9-17-18(27-19)6-4-7-21(17)30-13-5-12-26-30/h4-14H,15H2,1-3H3,(H,29,31)
InChIKeyJPYKNMSPVBXHPJ-UHFFFAOYSA-N
XLogP3.45
TPSA124.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-5-(dimethylamino)quinoline-2-carboxamide
CID 176957687
3-[4-methoxy-3-(sulfinoamino)phenyl]-5,5-dimethyl-4H-1,2-oxazole
CID 177113747
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxy-5-pyrazol-1-ylbenzenesulfonamide
CID 146045434
N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 18629743
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-pyrazol-1-ylphenyl)sulfonylurea
CID 13489833
2-methoxy-N-methyl-3-pyrazol-1-ylaniline
CID 123545407
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
2,5-dimethoxy-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310077
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide?
The IUPAC name of N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide (CID 177113765) is N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide.
What is the SMILES notation for N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide?
The canonical SMILES for N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide is COc1ccc(C2=NOC(C)(C)C2)cc1S(=O)(=O)NC(=O)c1ccc2c(-n3cccn3)cccc2n1.
What is the InChIKey of N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide?
The InChIKey is JPYKNMSPVBXHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S/c1-25(2)15-20(28-35-25)16-8-11-22(34-3)23(14-16)36(32,33)29-24(31)19-10-9-17-18(27-19)6-4-7-21(17)30-13-5-12-26-30/h4-14H,15H2,1-3H3,(H,29,31).
What are the key properties of N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide?
N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methoxyphenyl]sulfonyl-5-pyrazol-1-ylquinoline-2-carboxamide is sourced from PubChem (CID 177113765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).