4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide

C17H13FN4O2S — CID 134944189

IUPAC4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide
SMILESN#Cc1ccc(-c2c(C(N)=O)sc(N3CCOCC3)c2C#N)c(F)c1
InChIInChI=1S/C17H13FN4O2S/c18-13-7-10(8-19)1-2-11(13)14-12(9-20)17(25-15(14)16(21)23)22-3-5-24-6-4-22/h1-2,7H,3-6H2,(H2,21,23)
InChIKeyMUZCPSPAMVVIAL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.23
Rot. Bonds3

About 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide

4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide (PubChem CID 134944189) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide
PubChem CID134944189
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide
SMILESN#Cc1ccc(-c2c(C(N)=O)sc(N3CCOCC3)c2C#N)c(F)c1
InChIInChI=1S/C17H13FN4O2S/c18-13-7-10(8-19)1-2-11(13)14-12(9-20)17(25-15(14)16(21)23)22-3-5-24-6-4-22/h1-2,7H,3-6H2,(H2,21,23)
InChIKeyMUZCPSPAMVVIAL-UHFFFAOYSA-N
XLogP2.23
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide (CID 134944189) is 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide is N#Cc1ccc(-c2c(C(N)=O)sc(N3CCOCC3)c2C#N)c(F)c1.
What is the InChIKey of 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide?
The InChIKey is MUZCPSPAMVVIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c18-13-7-10(8-19)1-2-11(13)14-12(9-20)17(25-15(14)16(21)23)22-3-5-24-6-4-22/h1-2,7H,3-6H2,(H2,21,23).
What are the key properties of 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide?
4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(4-cyano-2-fluorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 134944189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).