(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide

C18H19ClFNOS — CID 99999476

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C18H19ClFNOS/c1-13(23-17-10-6-15(19)7-11-17)18(22)21-12-2-3-14-4-8-16(20)9-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyPDUFUNUFPHKTMX-CYBMUJFWSA-N
MW351.87 g/mol
LogP4.71
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide (PubChem CID 99999476) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
PubChem CID99999476
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C18H19ClFNOS/c1-13(23-17-10-6-15(19)7-11-17)18(22)21-12-2-3-14-4-8-16(20)9-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyPDUFUNUFPHKTMX-CYBMUJFWSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
CID 30394251
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107299870
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide (CID 99999476) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide?
The InChIKey is PDUFUNUFPHKTMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c1-13(23-17-10-6-15(19)7-11-17)18(22)21-12-2-3-14-4-8-16(20)9-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide has a molecular weight of 351.87 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide is sourced from PubChem (CID 99999476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).