N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide

C20H26N2O6S — CID 51941786

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@H]1CN(S(=O)(=O)CCNC(=O)c2occc2COc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H26N2O6S/c1-15-12-22(13-16(2)28-15)29(24,25)11-9-21-20(23)19-17(8-10-26-19)14-27-18-6-4-3-5-7-18/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyLHXUFZRGJDQKNY-HOTGVXAUSA-N
MW422.50 g/mol
LogP2.03
Rot. Bonds8

About N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 51941786) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID51941786
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@H]1CN(S(=O)(=O)CCNC(=O)c2occc2COc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H26N2O6S/c1-15-12-22(13-16(2)28-15)29(24,25)11-9-21-20(23)19-17(8-10-26-19)14-27-18-6-4-3-5-7-18/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyLHXUFZRGJDQKNY-HOTGVXAUSA-N
XLogP2.03
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea
CID 47032415
3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119393656
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55763452
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675727
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52531734

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 51941786) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide is C[C@H]1CN(S(=O)(=O)CCNC(=O)c2occc2COc2ccccc2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is LHXUFZRGJDQKNY-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-15-12-22(13-16(2)28-15)29(24,25)11-9-21-20(23)19-17(8-10-26-19)14-27-18-6-4-3-5-7-18/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,21,23)/t15-,16-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 51941786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).