3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide

C20H20N2O5S — CID 151533449

IUPAC3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C(N)=O)C(O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H20N2O5S/c1-20(19(21)24,28(25,26)16-8-6-15(27-2)7-9-16)18(23)14-5-10-17-13(12-14)4-3-11-22-17/h3-12,18,23H,1-2H3,(H2,21,24)
InChIKeyPWYRNYIZMDWJFW-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.99
Rot. Bonds6

About 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide

3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide (PubChem CID 151533449) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
PubChem CID151533449
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C(N)=O)C(O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H20N2O5S/c1-20(19(21)24,28(25,26)16-8-6-15(27-2)7-9-16)18(23)14-5-10-17-13(12-14)4-3-11-22-17/h3-12,18,23H,1-2H3,(H2,21,24)
InChIKeyPWYRNYIZMDWJFW-UHFFFAOYSA-N
XLogP1.99
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
CID 10135613
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
CID 79133168
2-methyl-2-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 81219930
ethene;6-methoxyquinoline
CID 174599262
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide (CID 151533449) is 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide is COc1ccc(S(=O)(=O)C(C)(C(N)=O)C(O)c2ccc3ncccc3c2)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
The InChIKey is PWYRNYIZMDWJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-20(19(21)24,28(25,26)16-8-6-15(27-2)7-9-16)18(23)14-5-10-17-13(12-14)4-3-11-22-17/h3-12,18,23H,1-2H3,(H2,21,24).
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide?
3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide has a molecular weight of 400.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide is sourced from PubChem (CID 151533449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).