5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C16H12FNOS2 — CID 35008485

IUPAC5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FNOS2/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(19)18-10-13-2-1-9-20-13/h1-9H,10H2,(H,18,19)
InChIKeyUPJNGSKSJQODOG-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.55
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 35008485) has the molecular formula C16H12FNOS2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID35008485
Molecular FormulaC16H12FNOS2
Molecular Weight317.41 g/mol
Exact Mass317.03
IUPAC Name5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FNOS2/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(19)18-10-13-2-1-9-20-13/h1-9H,10H2,(H,18,19)
InChIKeyUPJNGSKSJQODOG-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059987
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 33307839
5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712486
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 71958546
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 35008485) is 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccs1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is UPJNGSKSJQODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS2/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(19)18-10-13-2-1-9-20-13/h1-9H,10H2,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 4.55, 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-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 35008485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).