N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C16H16F3NOS — CID 2740126

IUPACN-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C16H16F3NOS/c1-15(2,3)20-14(21)12-9-11(10-7-5-4-6-8-10)13(22-12)16(17,18)19/h4-9H,1-3H3,(H,20,21)
InChIKeyVNCDOHVYXCAGKL-UHFFFAOYSA-N
MW327.37 g/mol
LogP4.96
Rot. Bonds2

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

N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 2740126) has the molecular formula C16H16F3NOS and a molecular weight of 327.37 g/mol. Its IUPAC name is N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID2740126
Molecular FormulaC16H16F3NOS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC NameN-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C16H16F3NOS/c1-15(2,3)20-14(21)12-9-11(10-7-5-4-6-8-10)13(22-12)16(17,18)19/h4-9H,1-3H3,(H,20,21)
InChIKeyVNCDOHVYXCAGKL-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 2740126) is N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is VNCDOHVYXCAGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NOS/c1-15(2,3)20-14(21)12-9-11(10-7-5-4-6-8-10)13(22-12)16(17,18)19/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2740126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).