N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C21H28N2O7S — CID 55763452

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)o1
InChIInChI=1S/C21H28N2O7S/c1-15-12-23(13-16(2)29-15)31(25,26)11-10-22-21(24)20-9-8-17(30-20)14-28-19-7-5-4-6-18(19)27-3/h4-9,15-16H,10-14H2,1-3H3,(H,22,24)
InChIKeyBFEKHWVZAQVUIB-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.04
Rot. Bonds9

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 55763452) has the molecular formula C21H28N2O7S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID55763452
Molecular FormulaC21H28N2O7S
Molecular Weight452.53 g/mol
Exact Mass452.16
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)o1
InChIInChI=1S/C21H28N2O7S/c1-15-12-23(13-16(2)29-15)31(25,26)11-10-22-21(24)20-9-8-17(30-20)14-28-19-7-5-4-6-18(19)27-3/h4-9,15-16H,10-14H2,1-3H3,(H,22,24)
InChIKeyBFEKHWVZAQVUIB-UHFFFAOYSA-N
XLogP2.04
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
CID 55788987
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide
CID 55674589
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-(3-indol-1-ylpropyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55791961
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51941786
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467608
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26268401
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 55763452) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)o1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is BFEKHWVZAQVUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O7S/c1-15-12-23(13-16(2)29-15)31(25,26)11-10-22-21(24)20-9-8-17(30-20)14-28-19-7-5-4-6-18(19)27-3/h4-9,15-16H,10-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55763452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).