2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide

C14H22N2O3S — CID 106910339

IUPAC2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
SMILESCCCNCc1ccc(NC(=O)C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-9-15-10-12-5-7-13(8-6-12)16-14(17)11(2)20(3,18)19/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyZTELJZOMJPTILO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.56
Rot. Bonds7

About 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide

2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide (PubChem CID 106910339) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
PubChem CID106910339
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
SMILESCCCNCc1ccc(NC(=O)C(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-9-15-10-12-5-7-13(8-6-12)16-14(17)11(2)20(3,18)19/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyZTELJZOMJPTILO-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylsulfonyl-N-[4-(propylaminomethyl)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

3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
2-methylsulfonyl-N-[2-(propylamino)phenyl]propanamide
CID 102562893
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 104517127
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519547
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
3-[4-(propylaminomethyl)phenyl]propanoic acid
CID 59131307
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910350
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide?
The IUPAC name of 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide (CID 106910339) is 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide?
The canonical SMILES for 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide is CCCNCc1ccc(NC(=O)C(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide?
The InChIKey is ZTELJZOMJPTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-9-15-10-12-5-7-13(8-6-12)16-14(17)11(2)20(3,18)19/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide?
2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 106910339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).