N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

C17H13FN2OS2 — CID 23093786

IUPACN-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1sccc1SCc1ccncc1
InChIInChI=1S/C17H13FN2OS2/c18-13-1-3-14(4-2-13)20-17(21)16-15(7-10-22-16)23-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21)
InChIKeyHTOPWAKWPKATOF-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.83
Rot. Bonds5

About N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide (PubChem CID 23093786) has the molecular formula C17H13FN2OS2 and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
PubChem CID23093786
Molecular FormulaC17H13FN2OS2
Molecular Weight344.44 g/mol
Exact Mass344.05
IUPAC NameN-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1sccc1SCc1ccncc1
InChIInChI=1S/C17H13FN2OS2/c18-13-1-3-14(4-2-13)20-17(21)16-15(7-10-22-16)23-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21)
InChIKeyHTOPWAKWPKATOF-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10451045
N-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10068612
N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23094003
N-(3-chloro-4-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093841
N-(3-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10316510
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 11382379
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide (CID 23093786) is N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide is O=C(Nc1ccc(F)cc1)c1sccc1SCc1ccncc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
The InChIKey is HTOPWAKWPKATOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS2/c18-13-1-3-14(4-2-13)20-17(21)16-15(7-10-22-16)23-11-12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21).
What are the key properties of N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide?
N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide is sourced from PubChem (CID 23093786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).