N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide

C14H23N3O3S — CID 120715921

IUPACN-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
SMILESCCCNCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-9-15-10-11-16-21(19,20)13-7-5-12(6-8-13)17-14(18)4-2/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyOXXXCQLRIYYJNZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds9

About N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide

N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide (PubChem CID 120715921) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
PubChem CID120715921
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
SMILESCCCNCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-9-15-10-11-16-21(19,20)13-7-5-12(6-8-13)17-14(18)4-2/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyOXXXCQLRIYYJNZ-UHFFFAOYSA-N
XLogP1.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide (CID 120715921) is N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide is CCCNCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1.
What is the InChIKey of N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide?
The InChIKey is OXXXCQLRIYYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-9-15-10-11-16-21(19,20)13-7-5-12(6-8-13)17-14(18)4-2/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide?
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 120715921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).