N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide

C16H24N2O3S — CID 113140689

IUPACN-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
SMILESCS(=O)(=O)N(CCCc1ccccc1)CCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)18(13-11-16(19)17-15-9-10-15)12-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyMZPBWBLSUGBMGM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds9

About N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide

N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide (PubChem CID 113140689) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
PubChem CID113140689
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
SMILESCS(=O)(=O)N(CCCc1ccccc1)CCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)18(13-11-16(19)17-15-9-10-15)12-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyMZPBWBLSUGBMGM-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140692
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140730
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 113152507

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide (CID 113140689) is N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide is CS(=O)(=O)N(CCCc1ccccc1)CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The InChIKey is MZPBWBLSUGBMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(20,21)18(13-11-16(19)17-15-9-10-15)12-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide is sourced from PubChem (CID 113140689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).