3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide

C15H24N2O3S — CID 26514081

IUPAC3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
SMILESCCCN(CCS(=O)(=O)CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-2-9-17(13-14-6-4-3-5-7-14)10-12-21(19,20)11-8-15(16)18/h3-7H,2,8-13H2,1H3,(H2,16,18)
InChIKeyQDRIRNKNLHHSQH-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.19
Rot. Bonds10

About 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide

3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide (PubChem CID 26514081) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
PubChem CID26514081
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide
SMILESCCCN(CCS(=O)(=O)CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-2-9-17(13-14-6-4-3-5-7-14)10-12-21(19,20)11-8-15(16)18/h3-7H,2,8-13H2,1H3,(H2,16,18)
InChIKeyQDRIRNKNLHHSQH-UHFFFAOYSA-N
XLogP1.19
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[benzyl(propyl)amino]ethylsulfonyl]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,N-dibenzylpropan-1-amine
CID 10840212
3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
N,N-dibenzyl-3-[3-(dibenzylamino)propylsulfonyl]propan-1-amine
CID 68796747
N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
CID 58570196
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
3-[(dipropylamino)methyl]benzamide
CID 82041313
N'-(2-phenylethyl)-N'-(2-propylsulfonylethyl)ethane-1,2-diamine
CID 120871732

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide (CID 26514081) is 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide is CCCN(CCS(=O)(=O)CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide?
The InChIKey is QDRIRNKNLHHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-9-17(13-14-6-4-3-5-7-14)10-12-21(19,20)11-8-15(16)18/h3-7H,2,8-13H2,1H3,(H2,16,18).
What are the key properties of 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide?
3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide has a molecular weight of 312.43 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(propyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 26514081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).