2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone

C14H15NO2S — CID 94273700

IUPAC2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone
SMILESCCOc1ccc(-c2ccc(C(=O)CN)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-17-11-5-3-10(4-6-11)13-7-8-14(18-13)12(16)9-15/h3-8H,2,9,15H2,1H3
InChIKeySRSYRNJVAFIOHV-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.96
Rot. Bonds5

About 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone

2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone (PubChem CID 94273700) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone
PubChem CID94273700
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone
SMILESCCOc1ccc(-c2ccc(C(=O)CN)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-17-11-5-3-10(4-6-11)13-7-8-14(18-13)12(16)9-15/h3-8H,2,9,15H2,1H3
InChIKeySRSYRNJVAFIOHV-UHFFFAOYSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone (CID 94273700) is 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone is CCOc1ccc(-c2ccc(C(=O)CN)s2)cc1.
What is the InChIKey of 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone?
The InChIKey is SRSYRNJVAFIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-17-11-5-3-10(4-6-11)13-7-8-14(18-13)12(16)9-15/h3-8H,2,9,15H2,1H3.
What are the key properties of 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone?
2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 94273700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).