3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one

C19H17NO2S — CID 4110944

IUPAC3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H17NO2S/c21-18(19-7-4-14-23-19)12-13-20-15-8-10-17(11-9-15)22-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2
InChIKeyAYGLVMQZUBHJOE-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.23
Rot. Bonds7

About 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one

3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 4110944) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID4110944
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H17NO2S/c21-18(19-7-4-14-23-19)12-13-20-15-8-10-17(11-9-15)22-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2
InChIKeyAYGLVMQZUBHJOE-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-(3-methylbut-3-enyl)-4-phenoxyaniline
CID 114471890
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 94272976
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(3-nitroanilino)-1-thiophen-2-ylpropan-1-one
CID 5178727
N'-hydroxy-3-(4-phenoxyanilino)propanimidamide
CID 77026681
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] thiophene-2-carboxylate
CID 4597020
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one (CID 4110944) is 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one is O=C(CCNc1ccc(Oc2ccccc2)cc1)c1cccs1.
What is the InChIKey of 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is AYGLVMQZUBHJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-18(19-7-4-14-23-19)12-13-20-15-8-10-17(11-9-15)22-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2.
What are the key properties of 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one?
3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 323.42 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 4110944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).