3-anilino-1-thiophen-2-ylpropan-1-one

C13H13NOS — CID 2824394

IUPAC3-anilino-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NOS/c15-12(13-7-4-10-16-13)8-9-14-11-5-2-1-3-6-11/h1-7,10,14H,8-9H2
InChIKeyMTZFTGXHHKVMDO-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.43
Rot. Bonds5

About 3-anilino-1-thiophen-2-ylpropan-1-one

3-anilino-1-thiophen-2-ylpropan-1-one (PubChem CID 2824394) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-anilino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-anilino-1-thiophen-2-ylpropan-1-one
PubChem CID2824394
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-anilino-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NOS/c15-12(13-7-4-10-16-13)8-9-14-11-5-2-1-3-6-11/h1-7,10,14H,8-9H2
InChIKeyMTZFTGXHHKVMDO-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one
CID 4110944
3-(3-nitroanilino)-1-thiophen-2-ylpropan-1-one
CID 5178727
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 94272976
3-(2,3-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 4187133
1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-phenylthiourea
CID 22830769
benzyl 4-oxo-4-thiophen-2-ylbutanoate
CID 2358378
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-anilino-1-thiophen-2-ylpropan-1-one (CID 2824394) is 3-anilino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-anilino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-anilino-1-thiophen-2-ylpropan-1-one is O=C(CCNc1ccccc1)c1cccs1.
What is the InChIKey of 3-anilino-1-thiophen-2-ylpropan-1-one?
The InChIKey is MTZFTGXHHKVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-12(13-7-4-10-16-13)8-9-14-11-5-2-1-3-6-11/h1-7,10,14H,8-9H2.
What are the key properties of 3-anilino-1-thiophen-2-ylpropan-1-one?
3-anilino-1-thiophen-2-ylpropan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 2824394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).