N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C17H15FN2OS — CID 53002168

IUPACN-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C17H15FN2OS/c1-2-19-17(21)16-15(20-9-3-4-10-20)14(11-22-16)12-5-7-13(18)8-6-12/h3-11H,2H2,1H3,(H,19,21)
InChIKeyPGVADCKGFSIKHZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.09
Rot. Bonds4

About N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 53002168) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID53002168
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC NameN-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C17H15FN2OS/c1-2-19-17(21)16-15(20-9-3-4-10-20)14(11-22-16)12-5-7-13(18)8-6-12/h3-11H,2H2,1H3,(H,19,21)
InChIKeyPGVADCKGFSIKHZ-UHFFFAOYSA-N
XLogP4.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 53002168) is N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is CCNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is PGVADCKGFSIKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-2-19-17(21)16-15(20-9-3-4-10-20)14(11-22-16)12-5-7-13(18)8-6-12/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 53002168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).