3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide

C17H29N3O3S — CID 120828761

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(C)NC)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-20(6-2)24(22,23)16-10-7-15(8-11-16)9-12-17(21)19-13-14(3)18-4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3,(H,19,21)
InChIKeyAKGIDHWJBZJHEE-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.37
Rot. Bonds10

About 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide (PubChem CID 120828761) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
PubChem CID120828761
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(C)NC)cc1
InChIInChI=1S/C17H29N3O3S/c1-5-20(6-2)24(22,23)16-10-7-15(8-11-16)9-12-17(21)19-13-14(3)18-4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3,(H,19,21)
InChIKeyAKGIDHWJBZJHEE-UHFFFAOYSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
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
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide (CID 120828761) is 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC(C)NC)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide?
The InChIKey is AKGIDHWJBZJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-5-20(6-2)24(22,23)16-10-7-15(8-11-16)9-12-17(21)19-13-14(3)18-4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3,(H,19,21).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide has a molecular weight of 355.50 g/mol, XLogP of 1.37, 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-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120828761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).