N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide

C18H11FN2O2S — CID 133288211

IUPACN-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide
SMILESN#Cc1c(F)cccc1Oc1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C18H11FN2O2S/c19-16-2-1-3-17(15(16)10-20)23-14-6-4-13(5-7-14)21-18(22)12-8-9-24-11-12/h1-9,11H,(H,21,22)
InChIKeyXNTTWVYKEQSUCH-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.80
Rot. Bonds4

About N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide

N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide (PubChem CID 133288211) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide
PubChem CID133288211
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC NameN-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide
SMILESN#Cc1c(F)cccc1Oc1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C18H11FN2O2S/c19-16-2-1-3-17(15(16)10-20)23-14-6-4-13(5-7-14)21-18(22)12-8-9-24-11-12/h1-9,11H,(H,21,22)
InChIKeyXNTTWVYKEQSUCH-UHFFFAOYSA-N
XLogP4.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide (CID 133288211) is N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide is N#Cc1c(F)cccc1Oc1ccc(NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is XNTTWVYKEQSUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-16-2-1-3-17(15(16)10-20)23-14-6-4-13(5-7-14)21-18(22)12-8-9-24-11-12/h1-9,11H,(H,21,22).
What are the key properties of N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide?
N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 133288211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).