5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide

C14H20F3NOS — CID 155572046

IUPAC5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC(C)(C)C(F)(F)F)cc1C(C)C
InChIInChI=1S/C14H20F3NOS/c1-6-10-9(8(2)3)7-11(20-10)12(19)18-13(4,5)14(15,16)17/h7-8H,6H2,1-5H3,(H,18,19)
InChIKeyBEJWUIKQNNTGQA-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.50
Rot. Bonds4

About 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide

5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 155572046) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide
PubChem CID155572046
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC(C)(C)C(F)(F)F)cc1C(C)C
InChIInChI=1S/C14H20F3NOS/c1-6-10-9(8(2)3)7-11(20-10)12(19)18-13(4,5)14(15,16)17/h7-8H,6H2,1-5H3,(H,18,19)
InChIKeyBEJWUIKQNNTGQA-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide (CID 155572046) is 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide is CCc1sc(C(=O)NC(C)(C)C(F)(F)F)cc1C(C)C.
What is the InChIKey of 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is BEJWUIKQNNTGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-6-10-9(8(2)3)7-11(20-10)12(19)18-13(4,5)14(15,16)17/h7-8H,6H2,1-5H3,(H,18,19).
What are the key properties of 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide?
5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propan-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 155572046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).