5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide

C15H16FNOS — CID 2823757

IUPAC5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNOS/c1-15(2,3)13-9-8-12(19-13)14(18)17-11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,17,18)
InChIKeyTWRURVQCRZRFHZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.44
Rot. Bonds2

About 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide

5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 2823757) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID2823757
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNOS/c1-15(2,3)13-9-8-12(19-13)14(18)17-11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,17,18)
InChIKeyTWRURVQCRZRFHZ-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide (CID 2823757) is 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is TWRURVQCRZRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-15(2,3)13-9-8-12(19-13)14(18)17-11-6-4-10(16)5-7-11/h4-9H,1-3H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide?
5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).