5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C13H17F3N2O2S — CID 51291883

IUPAC5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-7-5-8(18-11(20)12(2,3)4)21-9(7)10(19)17-6-13(14,15)16/h5H,6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyFRSKCDTZLPLULD-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.33
Rot. Bonds3

About 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 51291883) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID51291883
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-7-5-8(18-11(20)12(2,3)4)21-9(7)10(19)17-6-13(14,15)16/h5H,6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyFRSKCDTZLPLULD-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 51291883) is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is FRSKCDTZLPLULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-7-5-8(18-11(20)12(2,3)4)21-9(7)10(19)17-6-13(14,15)16/h5H,6H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51291883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).