3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide

C16H26N2O4S — CID 78821548

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCO)cc1
InChIInChI=1S/C16H26N2O4S/c1-3-18(4-2)23(21,22)15-9-6-14(7-10-15)8-11-16(20)17-12-5-13-19/h6-7,9-10,19H,3-5,8,11-13H2,1-2H3,(H,17,20)
InChIKeyJIBKMVSFRYCUKG-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.15
Rot. Bonds10

About 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide (PubChem CID 78821548) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
PubChem CID78821548
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCO)cc1
InChIInChI=1S/C16H26N2O4S/c1-3-18(4-2)23(21,22)15-9-6-14(7-10-15)8-11-16(20)17-12-5-13-19/h6-7,9-10,19H,3-5,8,11-13H2,1-2H3,(H,17,20)
InChIKeyJIBKMVSFRYCUKG-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473676
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide (CID 78821548) is 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCCO)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide?
The InChIKey is JIBKMVSFRYCUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-3-18(4-2)23(21,22)15-9-6-14(7-10-15)8-11-16(20)17-12-5-13-19/h6-7,9-10,19H,3-5,8,11-13H2,1-2H3,(H,17,20).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 78821548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).