5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide

C24H26N2O6S — CID 19446868

IUPAC5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C24H26N2O6S/c1-17-4-3-5-18(2)23(17)31-16-20-8-11-22(32-20)24(27)25-19-6-9-21(10-7-19)33(28,29)26-12-14-30-15-13-26/h3-11H,12-16H2,1-2H3,(H,25,27)
InChIKeyARFRDYBYLKMWSV-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.75
Rot. Bonds7

About 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 19446868) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID19446868
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
InChIInChI=1S/C24H26N2O6S/c1-17-4-3-5-18(2)23(17)31-16-20-8-11-22(32-20)24(27)25-19-6-9-21(10-7-19)33(28,29)26-12-14-30-15-13-26/h3-11H,12-16H2,1-2H3,(H,25,27)
InChIKeyARFRDYBYLKMWSV-UHFFFAOYSA-N
XLogP3.75
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446653
5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19450312
2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2212028
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 31289277
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446931
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446908
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
CID 17134329
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
7-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38887347
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide (CID 19446868) is 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide is Cc1cccc(C)c1OCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is ARFRDYBYLKMWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-17-4-3-5-18(2)23(17)31-16-20-8-11-22(32-20)24(27)25-19-6-9-21(10-7-19)33(28,29)26-12-14-30-15-13-26/h3-11H,12-16H2,1-2H3,(H,25,27).
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide?
5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19446868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).