N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide

C15H21FN2O3S — CID 113136484

IUPACN-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
SMILESC=CCN(CCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H21FN2O3S/c1-3-11-18(22(2,20)21)12-9-15(19)17-10-8-13-4-6-14(16)7-5-13/h3-7H,1,8-12H2,2H3,(H,17,19)
InChIKeySNLPWRDUMHSDMZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.32
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide

N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide (PubChem CID 113136484) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
PubChem CID113136484
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
SMILESC=CCN(CCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H21FN2O3S/c1-3-11-18(22(2,20)21)12-9-15(19)17-10-8-13-4-6-14(16)7-5-13/h3-7H,1,8-12H2,2H3,(H,17,19)
InChIKeySNLPWRDUMHSDMZ-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.32
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-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
N-[(4-fluorophenyl)methyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148070
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113143798
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide (CID 113136484) is N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide is C=CCN(CCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide?
The InChIKey is SNLPWRDUMHSDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-3-11-18(22(2,20)21)12-9-15(19)17-10-8-13-4-6-14(16)7-5-13/h3-7H,1,8-12H2,2H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide has a molecular weight of 328.41 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide is sourced from PubChem (CID 113136484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).