5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide

C15H15F2NOS — CID 2741523

IUPAC5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C15H15F2NOS/c1-15(2,3)13-7-6-12(20-13)14(19)18-11-8-9(16)4-5-10(11)17/h4-8H,1-3H3,(H,18,19)
InChIKeyCMBNHQWRJHWYIJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.58
Rot. Bonds2

About 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide

5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide (PubChem CID 2741523) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide
PubChem CID2741523
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C15H15F2NOS/c1-15(2,3)13-7-6-12(20-13)14(19)18-11-8-9(16)4-5-10(11)17/h4-8H,1-3H3,(H,18,19)
InChIKeyCMBNHQWRJHWYIJ-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.58
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-(2,5-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide (CID 2741523) is 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2cc(F)ccc2F)s1.
What is the InChIKey of 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is CMBNHQWRJHWYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-15(2,3)13-7-6-12(20-13)14(19)18-11-8-9(16)4-5-10(11)17/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide?
5-tert-butyl-N-(2,5-difluorophenyl)thiophene-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 4.58, 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-(2,5-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2741523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).