5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide

C17H14FNO2S — CID 18109835

IUPAC5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H14FNO2S/c1-19(11-14-3-2-10-21-14)17(20)16-9-8-15(22-16)12-4-6-13(18)7-5-12/h2-10H,11H2,1H3
InChIKeyMZAVIYUDQPJPFL-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.42
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide (PubChem CID 18109835) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
PubChem CID18109835
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H14FNO2S/c1-19(11-14-3-2-10-21-14)17(20)16-9-8-15(22-16)12-4-6-13(18)7-5-12/h2-10H,11H2,1H3
InChIKeyMZAVIYUDQPJPFL-UHFFFAOYSA-N
XLogP4.42
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 31864106
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 111695059
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide
CID 97247084
8-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-oxo-1H-quinoline-2-carboxamide
CID 74230918
N-(furan-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71902779
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 46111541

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide (CID 18109835) is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide is CN(Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is MZAVIYUDQPJPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-19(11-14-3-2-10-21-14)17(20)16-9-8-15(22-16)12-4-6-13(18)7-5-12/h2-10H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 18109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).