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

C23H18FNO3S — CID 166558570

IUPACN-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(CN(C(=O)c3ccco3)c3ccccc3F)s2)cc1
InChIInChI=1S/C23H18FNO3S/c1-27-17-10-8-16(9-11-17)22-13-12-18(29-22)15-25(20-6-3-2-5-19(20)24)23(26)21-7-4-14-28-21/h2-14H,15H2,1H3
InChIKeyZIQLMTWCVVIPTE-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.00
Rot. Bonds6

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

N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide (PubChem CID 166558570) has the molecular formula C23H18FNO3S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide
PubChem CID166558570
Molecular FormulaC23H18FNO3S
Molecular Weight407.47 g/mol
Exact Mass407.10
IUPAC NameN-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(CN(C(=O)c3ccco3)c3ccccc3F)s2)cc1
InChIInChI=1S/C23H18FNO3S/c1-27-17-10-8-16(9-11-17)22-13-12-18(29-22)15-25(20-6-3-2-5-19(20)24)23(26)21-7-4-14-28-21/h2-14H,15H2,1H3
InChIKeyZIQLMTWCVVIPTE-UHFFFAOYSA-N
XLogP6.00
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide (CID 166558570) is N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide is COc1ccc(-c2ccc(CN(C(=O)c3ccco3)c3ccccc3F)s2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
The InChIKey is ZIQLMTWCVVIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3S/c1-27-17-10-8-16(9-11-17)22-13-12-18(29-22)15-25(20-6-3-2-5-19(20)24)23(26)21-7-4-14-28-21/h2-14H,15H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide?
N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 166558570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).