N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide

C18H20FNOS — CID 86933520

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1cc(CNC(=O)C(C)CSc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNOS/c1-13-10-15(8-9-17(13)19)11-20-18(21)14(2)12-22-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyYUWBZYBAEFDINH-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.18
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933520) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933520
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCc1cc(CNC(=O)C(C)CSc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNOS/c1-13-10-15(8-9-17(13)19)11-20-18(21)14(2)12-22-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyYUWBZYBAEFDINH-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933832
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933371
2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185958
N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667
1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86933520) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide is Cc1cc(CNC(=O)C(C)CSc2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is YUWBZYBAEFDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-13-10-15(8-9-17(13)19)11-20-18(21)14(2)12-22-16-6-4-3-5-7-16/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).