2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

C24H24FNO2S — CID 36906839

IUPAC2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSCCOC(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO2S/c25-22-13-11-19(12-14-22)17-26-23(27)18-29-16-15-28-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-18H2,(H,26,27)
InChIKeyPLHRLJWZVHTBCN-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.98
Rot. Bonds10

About 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 36906839) has the molecular formula C24H24FNO2S and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID36906839
Molecular FormulaC24H24FNO2S
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC Name2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSCCOC(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO2S/c25-22-13-11-19(12-14-22)17-26-23(27)18-29-16-15-28-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-18H2,(H,26,27)
InChIKeyPLHRLJWZVHTBCN-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8928706
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222834
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
CID 38639105
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31088989
N-benzyl-2-butylsulfanylacetamide
CID 112781296
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 36906839) is 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CSCCOC(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PLHRLJWZVHTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S/c25-22-13-11-19(12-14-22)17-26-23(27)18-29-16-15-28-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-18H2,(H,26,27).
What are the key properties of 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 36906839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).