N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide

C15H23N3O4S — CID 2144799

IUPACN-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-13(19)17-14-3-5-15(6-4-14)23(20,21)16-7-2-8-18-9-11-22-12-10-18/h3-6,16H,2,7-12H2,1H3,(H,17,19)
InChIKeyXMRMCSOIXZIPJT-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.65
Rot. Bonds7

About N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide

N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide (PubChem CID 2144799) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
PubChem CID2144799
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-13(19)17-14-3-5-15(6-4-14)23(20,21)16-7-2-8-18-9-11-22-12-10-18/h3-6,16H,2,7-12H2,1H3,(H,17,19)
InChIKeyXMRMCSOIXZIPJT-UHFFFAOYSA-N
XLogP0.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide (CID 2144799) is N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide?
The InChIKey is XMRMCSOIXZIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-13(19)17-14-3-5-15(6-4-14)23(20,21)16-7-2-8-18-9-11-22-12-10-18/h3-6,16H,2,7-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide?
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2144799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).