3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide

C16H12FNO2S — CID 166141125

IUPAC3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESNC(=O)c1occc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FNO2S/c17-12-3-1-10(2-4-12)14-6-5-13(21-14)9-11-7-8-20-15(11)16(18)19/h1-8H,9H2,(H2,18,19)
InChIKeyUYTWTWQGUWJTCN-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.84
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide

3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide (PubChem CID 166141125) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide
PubChem CID166141125
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESNC(=O)c1occc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FNO2S/c17-12-3-1-10(2-4-12)14-6-5-13(21-14)9-11-7-8-20-15(11)16(18)19/h1-8H,9H2,(H2,18,19)
InChIKeyUYTWTWQGUWJTCN-UHFFFAOYSA-N
XLogP3.84
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide (CID 166141125) is 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide is NC(=O)c1occc1Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The InChIKey is UYTWTWQGUWJTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-12-3-1-10(2-4-12)14-6-5-13(21-14)9-11-7-8-20-15(11)16(18)19/h1-8H,9H2,(H2,18,19).
What are the key properties of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 166141125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).