N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide

C24H26N2O6S — CID 126726228

IUPACN-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cc1)Cc1cc(=O)c(O)co1
InChIInChI=1S/C24H26N2O6S/c1-33(29,30)26(16-22-14-23(27)24(28)17-32-22)15-18-2-4-19(5-3-18)20-6-8-21(9-7-20)25-10-12-31-13-11-25/h2-9,14,17,28H,10-13,15-16H2,1H3
InChIKeyKNBWYKGSQCGJDS-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.81
Rot. Bonds7

About N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide (PubChem CID 126726228) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide
PubChem CID126726228
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC NameN-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cc1)Cc1cc(=O)c(O)co1
InChIInChI=1S/C24H26N2O6S/c1-33(29,30)26(16-22-14-23(27)24(28)17-32-22)15-18-2-4-19(5-3-18)20-6-8-21(9-7-20)25-10-12-31-13-11-25/h2-9,14,17,28H,10-13,15-16H2,1H3
InChIKeyKNBWYKGSQCGJDS-UHFFFAOYSA-N
XLogP2.81
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide (CID 126726228) is N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cc1)Cc1cc(=O)c(O)co1.
What is the InChIKey of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide?
The InChIKey is KNBWYKGSQCGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-33(29,30)26(16-22-14-23(27)24(28)17-32-22)15-18-2-4-19(5-3-18)20-6-8-21(9-7-20)25-10-12-31-13-11-25/h2-9,14,17,28H,10-13,15-16H2,1H3.
What are the key properties of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide?
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide has a molecular weight of 470.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-[[4-(4-morpholin-4-ylphenyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 126726228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).