3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide

C17H27N3O4S — CID 31337257

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-5-20(6-2)25(23,24)15-10-7-14(8-11-15)9-12-16(21)18-13-17(22)19(3)4/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H,18,21)
InChIKeyCMXILUCNVZAJGG-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.85
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide (PubChem CID 31337257) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
PubChem CID31337257
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C17H27N3O4S/c1-5-20(6-2)25(23,24)15-10-7-14(8-11-15)9-12-16(21)18-13-17(22)19(3)4/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H,18,21)
InChIKeyCMXILUCNVZAJGG-UHFFFAOYSA-N
XLogP0.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
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-[2-(dimethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide (CID 31337257) is 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The InChIKey is CMXILUCNVZAJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-20(6-2)25(23,24)15-10-7-14(8-11-15)9-12-16(21)18-13-17(22)19(3)4/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H,18,21).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 31337257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).