N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide

C19H17FN2OS2 — CID 55891678

IUPACN-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCc1cccnc1)N(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2OS2/c20-16-5-7-17(8-6-16)22(12-18-4-2-10-25-18)19(23)14-24-13-15-3-1-9-21-11-15/h1-11H,12-14H2
InChIKeyQAYUUQMFIRALQB-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.75
Rot. Bonds7

About N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide

N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55891678) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55891678
Molecular FormulaC19H17FN2OS2
Molecular Weight372.49 g/mol
Exact Mass372.08
IUPAC NameN-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCc1cccnc1)N(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2OS2/c20-16-5-7-17(8-6-16)22(12-18-4-2-10-25-18)19(23)14-24-13-15-3-1-9-21-11-15/h1-11H,12-14H2
InChIKeyQAYUUQMFIRALQB-UHFFFAOYSA-N
XLogP4.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 27995034
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
5-bromo-N-[2-[4-fluoro-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55890788
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 171667182
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide (CID 55891678) is N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CSCc1cccnc1)N(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QAYUUQMFIRALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c20-16-5-7-17(8-6-16)22(12-18-4-2-10-25-18)19(23)14-24-13-15-3-1-9-21-11-15/h1-11H,12-14H2.
What are the key properties of N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide?
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55891678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).