N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide

C19H23FN2OS — CID 86933832

IUPACN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C19H23FN2OS/c1-14(13-24-16-7-5-4-6-8-16)19(23)21-12-15-9-10-18(22(2)3)17(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyIYCRNCBPBABOEG-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.94
Rot. Bonds7

About N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933832) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933832
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C19H23FN2OS/c1-14(13-24-16-7-5-4-6-8-16)19(23)21-12-15-9-10-18(22(2)3)17(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyIYCRNCBPBABOEG-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110910380
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667
N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933345
N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933371
1-tert-butyl-N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 99787295
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86933832) is N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1.
What is the InChIKey of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is IYCRNCBPBABOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-14(13-24-16-7-5-4-6-8-16)19(23)21-12-15-9-10-18(22(2)3)17(20)11-15/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).