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

C20H26N2O3S — CID 113140705

IUPACN-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
SMILESCS(=O)(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-26(24,25)22(15-8-13-18-9-4-2-5-10-18)16-14-20(23)21-17-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,21,23)
InChIKeyYAGRHYSCKGMLQL-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.59
Rot. Bonds10

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

N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide (PubChem CID 113140705) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
PubChem CID113140705
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
SMILESCS(=O)(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-26(24,25)22(15-8-13-18-9-4-2-5-10-18)16-14-20(23)21-17-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,21,23)
InChIKeyYAGRHYSCKGMLQL-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
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
3-[butyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136660
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The IUPAC name of N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide (CID 113140705) is N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The canonical SMILES for N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide is CS(=O)(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
The InChIKey is YAGRHYSCKGMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-26(24,25)22(15-8-13-18-9-4-2-5-10-18)16-14-20(23)21-17-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,21,23).
What are the key properties of N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide?
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide is sourced from PubChem (CID 113140705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).