2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

C21H25FN2OS — CID 92679367

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25FN2OS/c22-19-8-4-18(5-9-19)15-26-16-21(25)23-14-17-6-10-20(11-7-17)24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25)
InChIKeyLRWARFNEJOAMNF-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.37
Rot. Bonds7

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 92679367) has the molecular formula C21H25FN2OS and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID92679367
Molecular FormulaC21H25FN2OS
Molecular Weight372.51 g/mol
Exact Mass372.17
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25FN2OS/c22-19-8-4-18(5-9-19)15-26-16-21(25)23-14-17-6-10-20(11-7-17)24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25)
InChIKeyLRWARFNEJOAMNF-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31591431
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 100599953
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
2-[(4-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 18270309
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 99970925
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
1-(4-fluorophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 100626443
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide (CID 92679367) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is O=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is LRWARFNEJOAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2OS/c22-19-8-4-18(5-9-19)15-26-16-21(25)23-14-17-6-10-20(11-7-17)24-12-2-1-3-13-24/h4-11H,1-3,12-16H2,(H,23,25).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 92679367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).