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

C14H15NOS — CID 877310

IUPAC3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)15-9-8-13(16)14-3-2-10-17-14/h2-7,10,15H,8-9H2,1H3
InChIKeyXDAZTCVUXATESM-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.74
Rot. Bonds5

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

3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 877310) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID877310
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)15-9-8-13(16)14-3-2-10-17-14/h2-7,10,15H,8-9H2,1H3
InChIKeyXDAZTCVUXATESM-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one (CID 877310) is 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one is Cc1ccc(NCCC(=O)c2cccs2)cc1.
What is the InChIKey of 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is XDAZTCVUXATESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)15-9-8-13(16)14-3-2-10-17-14/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one?
3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 245.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 877310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).