N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide

C18H16FNO2S — CID 2954752

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccco1)c1cccs1
InChIInChI=1S/C18H16FNO2S/c19-14-7-5-13(6-8-14)15(16-3-1-11-22-16)9-10-20-18(21)17-4-2-12-23-17/h1-8,11-12,15H,9-10H2,(H,20,21)
InChIKeyMPNZKURRHZODRC-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.43
Rot. Bonds6

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide (PubChem CID 2954752) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide
PubChem CID2954752
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccco1)c1cccs1
InChIInChI=1S/C18H16FNO2S/c19-14-7-5-13(6-8-14)15(16-3-1-11-22-16)9-10-20-18(21)17-4-2-12-23-17/h1-8,11-12,15H,9-10H2,(H,20,21)
InChIKeyMPNZKURRHZODRC-UHFFFAOYSA-N
XLogP4.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide (CID 2954752) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccco1)c1cccs1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide?
The InChIKey is MPNZKURRHZODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c19-14-7-5-13(6-8-14)15(16-3-1-11-22-16)9-10-20-18(21)17-4-2-12-23-17/h1-8,11-12,15H,9-10H2,(H,20,21).
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2954752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).