1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone

C16H19NOS — CID 2735230

IUPAC1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C16H19NOS/c1-10(18)15-13(17)9-14(19-15)11-5-7-12(8-6-11)16(2,3)4/h5-9H,17H2,1-4H3
InChIKeyHOQOBNCJEIGGEO-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.50
Rot. Bonds2

About 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone

1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone (PubChem CID 2735230) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone
PubChem CID2735230
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C16H19NOS/c1-10(18)15-13(17)9-14(19-15)11-5-7-12(8-6-11)16(2,3)4/h5-9H,17H2,1-4H3
InChIKeyHOQOBNCJEIGGEO-UHFFFAOYSA-N
XLogP4.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone (CID 2735230) is 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone is CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1N.
What is the InChIKey of 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone?
The InChIKey is HOQOBNCJEIGGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-10(18)15-13(17)9-14(19-15)11-5-7-12(8-6-11)16(2,3)4/h5-9H,17H2,1-4H3.
What are the key properties of 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone?
1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone has a molecular weight of 273.40 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(4-tert-butylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 2735230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).