2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide

C14H21N3O4S — CID 7810409

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O4S/c1-10-7-17(8-11(2)21-10)9-14(18)16-12-4-3-5-13(6-12)22(15,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-,11+
InChIKeyREORUKKDZODPPW-PHIMTYICSA-N
MW327.41 g/mol
LogP0.38
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 7810409) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID7810409
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O4S/c1-10-7-17(8-11(2)21-10)9-14(18)16-12-4-3-5-13(6-12)22(15,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-,11+
InChIKeyREORUKKDZODPPW-PHIMTYICSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 120772660
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8899749

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide (CID 7810409) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide is C[C@@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is REORUKKDZODPPW-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-7-17(8-11(2)21-10)9-14(18)16-12-4-3-5-13(6-12)22(15,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)(H2,15,19,20)/t10-,11+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 7810409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).