N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide

C16H25FN2O3S — CID 113140279

IUPACN,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
SMILESCCN(CC)C(=O)CCN(CCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-4-18(5-2)16(20)11-13-19(23(3,21)22)12-10-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyRZHUXOIGZPOXET-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.89
Rot. Bonds9

About N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide

N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide (PubChem CID 113140279) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
PubChem CID113140279
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC NameN,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
SMILESCCN(CC)C(=O)CCN(CCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-4-18(5-2)16(20)11-13-19(23(3,21)22)12-10-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyRZHUXOIGZPOXET-UHFFFAOYSA-N
XLogP1.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150955
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067596
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113138161
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113151927
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 113151923
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
CID 113135931

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide (CID 113140279) is N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide is CCN(CC)C(=O)CCN(CCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
The InChIKey is RZHUXOIGZPOXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-4-18(5-2)16(20)11-13-19(23(3,21)22)12-10-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide has a molecular weight of 344.45 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113140279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).