1-(2-anilino-5-benzoylthiophen-3-yl)ethanone

C19H15NO2S — CID 867792

IUPAC1-(2-anilino-5-benzoylthiophen-3-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)sc1Nc1ccccc1
InChIInChI=1S/C19H15NO2S/c1-13(21)16-12-17(18(22)14-8-4-2-5-9-14)23-19(16)20-15-10-6-3-7-11-15/h2-12,20H,1H3
InChIKeyMQIPEVCHKYGTDQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.93
Rot. Bonds5

About 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone

1-(2-anilino-5-benzoylthiophen-3-yl)ethanone (PubChem CID 867792) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-anilino-5-benzoylthiophen-3-yl)ethanone
PubChem CID867792
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name1-(2-anilino-5-benzoylthiophen-3-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)sc1Nc1ccccc1
InChIInChI=1S/C19H15NO2S/c1-13(21)16-12-17(18(22)14-8-4-2-5-9-14)23-19(16)20-15-10-6-3-7-11-15/h2-12,20H,1H3
InChIKeyMQIPEVCHKYGTDQ-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone?
The IUPAC name of 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone (CID 867792) is 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone is CC(=O)c1cc(C(=O)c2ccccc2)sc1Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone?
The InChIKey is MQIPEVCHKYGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-13(21)16-12-17(18(22)14-8-4-2-5-9-14)23-19(16)20-15-10-6-3-7-11-15/h2-12,20H,1H3.
What are the key properties of 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone?
1-(2-anilino-5-benzoylthiophen-3-yl)ethanone has a molecular weight of 321.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-5-benzoylthiophen-3-yl)ethanone is sourced from PubChem (CID 867792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).