3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide

C16H24N2O3S — CID 113140690

IUPAC3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-3-12-17-16(19)11-14-18(22(2,20)21)13-7-10-15-8-5-4-6-9-15/h3-6,8-9H,1,7,10-14H2,2H3,(H,17,19)
InChIKeyPVOAGRPTSQDWJA-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.57
Rot. Bonds10

About 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide

3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide (PubChem CID 113140690) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
PubChem CID113140690
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-3-12-17-16(19)11-14-18(22(2,20)21)13-7-10-15-8-5-4-6-9-15/h3-6,8-9H,1,7,10-14H2,2H3,(H,17,19)
InChIKeyPVOAGRPTSQDWJA-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140692
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140730
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
CID 113141417
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113
2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
CID 78786828
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136484

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide (CID 113140690) is 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(CCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is PVOAGRPTSQDWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-12-17-16(19)11-14-18(22(2,20)21)13-7-10-15-8-5-4-6-9-15/h3-6,8-9H,1,7,10-14H2,2H3,(H,17,19).
What are the key properties of 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide?
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113140690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).