3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide

C13H13FN2OS — CID 11499932

IUPAC3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)c1cc(-c2ccc(F)cc2)sc1C(N)=O
InChIInChI=1S/C13H13FN2OS/c1-16(2)10-7-11(18-12(10)13(15)17)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,17)
InChIKeyGPPHGSWSUHHEAN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds3

About 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide

3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 11499932) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID11499932
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)c1cc(-c2ccc(F)cc2)sc1C(N)=O
InChIInChI=1S/C13H13FN2OS/c1-16(2)10-7-11(18-12(10)13(15)17)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,17)
InChIKeyGPPHGSWSUHHEAN-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 11499932) is 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide is CN(C)c1cc(-c2ccc(F)cc2)sc1C(N)=O.
What is the InChIKey of 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is GPPHGSWSUHHEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-16(2)10-7-11(18-12(10)13(15)17)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,17).
What are the key properties of 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 11499932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).