3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide

C14H22N2O3S — CID 2224602

IUPAC3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-11-15-14(17)10-7-12-5-8-13(9-6-12)20(18,19)16-4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3,(H,15,17)
InChIKeyCSWMOIRIISGIID-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds8

About 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide

3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide (PubChem CID 2224602) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
PubChem CID2224602
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-11-15-14(17)10-7-12-5-8-13(9-6-12)20(18,19)16-4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3,(H,15,17)
InChIKeyCSWMOIRIISGIID-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide
CID 112507172
3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796461
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide?
The IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide (CID 2224602) is 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide?
The canonical SMILES for 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide is CCCNC(=O)CCc1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide?
The InChIKey is CSWMOIRIISGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-11-15-14(17)10-7-12-5-8-13(9-6-12)20(18,19)16-4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3,(H,15,17).
What are the key properties of 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide?
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide is sourced from PubChem (CID 2224602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).