N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide

C19H14FNO3S — CID 1218554

IUPACN-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(COc1ccc(NC(=O)c2cccs2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3S/c20-14-5-3-13(4-6-14)17(22)12-24-16-9-7-15(8-10-16)21-19(23)18-2-1-11-25-18/h1-11H,12H2,(H,21,23)
InChIKeyZXUZNXPOKFFPED-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide

N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide (PubChem CID 1218554) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
PubChem CID1218554
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC NameN-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(COc1ccc(NC(=O)c2cccs2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3S/c20-14-5-3-13(4-6-14)17(22)12-24-16-9-7-15(8-10-16)21-19(23)18-2-1-11-25-18/h1-11H,12H2,(H,21,23)
InChIKeyZXUZNXPOKFFPED-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide (CID 1218554) is N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide is O=C(COc1ccc(NC(=O)c2cccs2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is ZXUZNXPOKFFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c20-14-5-3-13(4-6-14)17(22)12-24-16-9-7-15(8-10-16)21-19(23)18-2-1-11-25-18/h1-11H,12H2,(H,21,23).
What are the key properties of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1218554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).