5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide

C19H16FNOS2 — CID 10808270

IUPAC5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNOS2/c1-21-19(22)17-11-16(12-5-9-15(23-2)10-6-12)18(24-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyPIXZZNHNIOPANL-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.30
Rot. Bonds4

About 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide (PubChem CID 10808270) has the molecular formula C19H16FNOS2 and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
PubChem CID10808270
Molecular FormulaC19H16FNOS2
Molecular Weight357.48 g/mol
Exact Mass357.07
IUPAC Name5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNOS2/c1-21-19(22)17-11-16(12-5-9-15(23-2)10-6-12)18(24-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyPIXZZNHNIOPANL-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide (CID 10808270) is 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide is CNC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is PIXZZNHNIOPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS2/c1-21-19(22)17-11-16(12-5-9-15(23-2)10-6-12)18(24-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10808270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).