3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide

C13H19N3O4S — CID 567846

IUPAC3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)12-3-1-11(2-4-12)15-13(17)5-6-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H2,14,18,19)
InChIKeyXUMGJDGDGUQHLP-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.01
Rot. Bonds5

About 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide

3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 567846) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide
PubChem CID567846
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)12-3-1-11(2-4-12)15-13(17)5-6-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H2,14,18,19)
InChIKeyXUMGJDGDGUQHLP-UHFFFAOYSA-N
XLogP-0.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thaumatin
CID 1151816
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
4-(Morpholinosulfonyl)aniline
CID 210794
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
Carbamic acid, (4-(4-morpholinylsulfonyl)phenyl)-, ethyl ester
CID 3067696
Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728
Acetanilide, 4'-(bis(2-hydroxyethyl)sulfamoyl)-
CID 97561
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide (CID 567846) is 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is XUMGJDGDGUQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-21(18,19)12-3-1-11(2-4-12)15-13(17)5-6-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H2,14,18,19).
What are the key properties of 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide?
3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 313.38 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 567846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).