(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide

C18H20FNOS — CID 51929540

IUPAC(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FNOS/c1-14(22-13-16-5-3-2-4-6-16)18(21)20-12-11-15-7-9-17(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyKSUZICYLQVUSHO-CQSZACIVSA-N
MW317.43 g/mol
LogP3.81
Rot. Bonds7

About (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide

(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 51929540) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID51929540
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FNOS/c1-14(22-13-16-5-3-2-4-6-16)18(21)20-12-11-15-7-9-17(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyKSUZICYLQVUSHO-CQSZACIVSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
(2R)-2-benzylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2279420
(2R)-N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41259137
(2R)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)propanamide
CID 41138766
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
N-[2-(4-aminophenyl)ethyl]-2-benzylsulfanyl-3-methylbutanamide
CID 119548621
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
CID 95618501
(2R)-2-benzylsulfanyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 95339530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 51929540) is (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide is C[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is KSUZICYLQVUSHO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-14(22-13-16-5-3-2-4-6-16)18(21)20-12-11-15-7-9-17(19)10-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 51929540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).