N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride

C13H22ClN3O3S — CID 119973592

IUPACN-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-13(17)16-11-5-7-12(8-6-11)20(18,19)15-10-9-14-4-2;/h5-8,14-15H,3-4,9-10H2,1-2H3,(H,16,17);1H
InChIKeyRJPDFANGMMLVEE-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.34
Rot. Bonds8

About N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride

N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride (PubChem CID 119973592) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
PubChem CID119973592
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC NameN-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-3-13(17)16-11-5-7-12(8-6-11)20(18,19)15-10-9-14-4-2;/h5-8,14-15H,3-4,9-10H2,1-2H3,(H,16,17);1H
InChIKeyRJPDFANGMMLVEE-UHFFFAOYSA-N
XLogP1.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119977058
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride?
The IUPAC name of N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride (CID 119973592) is N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1.Cl.
What is the InChIKey of N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride?
The InChIKey is RJPDFANGMMLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-3-13(17)16-11-5-7-12(8-6-11)20(18,19)15-10-9-14-4-2;/h5-8,14-15H,3-4,9-10H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride?
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119973592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).