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

C23H18FNO2S — CID 166558580

IUPACN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide
SMILESCc1ccccc1N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccco1
InChIInChI=1S/C23H18FNO2S/c1-16-5-2-3-6-20(16)25(23(26)21-7-4-14-27-21)15-19-12-13-22(28-19)17-8-10-18(24)11-9-17/h2-14H,15H2,1H3
InChIKeySYSYOTRIPYEFSV-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.30
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide (PubChem CID 166558580) has the molecular formula C23H18FNO2S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide
PubChem CID166558580
Molecular FormulaC23H18FNO2S
Molecular Weight391.47 g/mol
Exact Mass391.10
IUPAC NameN-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide
SMILESCc1ccccc1N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccco1
InChIInChI=1S/C23H18FNO2S/c1-16-5-2-3-6-20(16)25(23(26)21-7-4-14-27-21)15-19-12-13-22(28-19)17-8-10-18(24)11-9-17/h2-14H,15H2,1H3
InChIKeySYSYOTRIPYEFSV-UHFFFAOYSA-N
XLogP6.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide (CID 166558580) is N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide is Cc1ccccc1N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccco1.
What is the InChIKey of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide?
The InChIKey is SYSYOTRIPYEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2S/c1-16-5-2-3-6-20(16)25(23(26)21-7-4-14-27-21)15-19-12-13-22(28-19)17-8-10-18(24)11-9-17/h2-14H,15H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide?
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-(2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 166558580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).