N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide

C15H23FN2OS — CID 60559393

IUPACN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2OS/c1-12(20-4)15(19)18(10-9-17(2)3)11-13-5-7-14(16)8-6-13/h5-8,12H,9-11H2,1-4H3
InChIKeyUIADXJLZXKWBML-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide (PubChem CID 60559393) has the molecular formula C15H23FN2OS and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide
PubChem CID60559393
Molecular FormulaC15H23FN2OS
Molecular Weight298.43 g/mol
Exact Mass298.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2OS/c1-12(20-4)15(19)18(10-9-17(2)3)11-13-5-7-14(16)8-6-13/h5-8,12H,9-11H2,1-4H3
InChIKeyUIADXJLZXKWBML-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60559272
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 42502735
N-[(4-cyanophenyl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-propylpropanamide
CID 55592510
2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
CID 116676204
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
[4-[[2-(dimethylamino)ethyl-[(2R)-2-ethylhexanoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 93019397
1-[2-(dimethylamino)ethyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912295
N,N,N'-trimethyl-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 30326989

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide (CID 60559393) is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide?
The InChIKey is UIADXJLZXKWBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2OS/c1-12(20-4)15(19)18(10-9-17(2)3)11-13-5-7-14(16)8-6-13/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide?
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 60559393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).