2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H23N3O5S — CID 108504056

IUPAC2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC1CN(C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(C)O1
InChIInChI=1S/C16H23N3O5S/c1-11-9-19(10-12(2)24-11)16(21)15(20)18-8-7-13-3-5-14(6-4-13)25(17,22)23/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H2,17,22,23)
InChIKeyZMIWBDUPIKZYEN-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.37
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 108504056) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID108504056
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC1CN(C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(C)O1
InChIInChI=1S/C16H23N3O5S/c1-11-9-19(10-12(2)24-11)16(21)15(20)18-8-7-13-3-5-14(6-4-13)25(17,22)23/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H2,17,22,23)
InChIKeyZMIWBDUPIKZYEN-UHFFFAOYSA-N
XLogP-0.37
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108516978
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 108964998
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95280981
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108530292

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 108504056) is 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CC1CN(C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ZMIWBDUPIKZYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-11-9-19(10-12(2)24-11)16(21)15(20)18-8-7-13-3-5-14(6-4-13)25(17,22)23/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H2,17,22,23).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 369.44 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 108504056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).