N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide

C13H21N3O3S — CID 119964786

IUPACN-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCCNC)cc1
InChIInChI=1S/C13H21N3O3S/c1-3-13(17)16-11-5-7-12(8-6-11)20(18,19)15-10-4-9-14-2/h5-8,14-15H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyIOKLBAHUWBZXNV-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.92
Rot. Bonds8

About N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide

N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide (PubChem CID 119964786) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
PubChem CID119964786
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCCNC)cc1
InChIInChI=1S/C13H21N3O3S/c1-3-13(17)16-11-5-7-12(8-6-11)20(18,19)15-10-4-9-14-2/h5-8,14-15H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyIOKLBAHUWBZXNV-UHFFFAOYSA-N
XLogP0.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.92
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-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]phenyl]propanamide
CID 42389365
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide (CID 119964786) is N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCCNC)cc1.
What is the InChIKey of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide?
The InChIKey is IOKLBAHUWBZXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-13(17)16-11-5-7-12(8-6-11)20(18,19)15-10-4-9-14-2/h5-8,14-15H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide?
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 119964786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).