2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide

C24H23FN2O3S — CID 55821168

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3S/c1-16(31-23-13-7-20(8-14-23)27-17(2)28)24(29)26-15-18-3-9-21(10-4-18)30-22-11-5-19(25)6-12-22/h3-14,16H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyVFVVPRFHXVKESD-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.37
Rot. Bonds8

About 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide (PubChem CID 55821168) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
PubChem CID55821168
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O3S/c1-16(31-23-13-7-20(8-14-23)27-17(2)28)24(29)26-15-18-3-9-21(10-4-18)30-22-11-5-19(25)6-12-22/h3-14,16H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyVFVVPRFHXVKESD-UHFFFAOYSA-N
XLogP5.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 55834214
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 92678294
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide (CID 55821168) is 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide is CC(=O)Nc1ccc(SC(C)C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
The InChIKey is VFVVPRFHXVKESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-16(31-23-13-7-20(8-14-23)27-17(2)28)24(29)26-15-18-3-9-21(10-4-18)30-22-11-5-19(25)6-12-22/h3-14,16H,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide has a molecular weight of 438.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 55821168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).