2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C20H20FN3OS — CID 16575391

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN3OS/c21-19-8-6-16(7-9-19)14-26-15-20(25)22-12-17-4-1-2-5-18(17)13-24-11-3-10-23-24/h1-11H,12-15H2,(H,22,25)
InChIKeyLDNZNTQVCGJFNP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 16575391) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID16575391
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN3OS/c21-19-8-6-16(7-9-19)14-26-15-20(25)22-12-17-4-1-2-5-18(17)13-24-11-3-10-23-24/h1-11H,12-15H2,(H,22,25)
InChIKeyLDNZNTQVCGJFNP-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 16575391) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CSCc1ccc(F)cc1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is LDNZNTQVCGJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-19-8-6-16(7-9-19)14-26-15-20(25)22-12-17-4-1-2-5-18(17)13-24-11-3-10-23-24/h1-11H,12-15H2,(H,22,25).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 16575391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).