1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone

C16H19NOS — CID 146006031

IUPAC1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone
SMILESCCN(CC)c1ccc(C(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H19NOS/c1-3-17(4-2)14-9-7-13(8-10-14)16(18)12-15-6-5-11-19-15/h5-11H,3-4,12H2,1-2H3
InChIKeyWBECHSFEERDSJT-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone

1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone (PubChem CID 146006031) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone
PubChem CID146006031
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone
SMILESCCN(CC)c1ccc(C(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H19NOS/c1-3-17(4-2)14-9-7-13(8-10-14)16(18)12-15-6-5-11-19-15/h5-11H,3-4,12H2,1-2H3
InChIKeyWBECHSFEERDSJT-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
CID 81221087
1-[4-(diethylamino)phenyl]-3-(2-thiophen-2-ylethyl)thiourea
CID 3827341
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one
CID 146006018
1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
CID 79095620
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008691
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
CID 76979565
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone (CID 146006031) is 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone is CCN(CC)c1ccc(C(=O)Cc2cccs2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone?
The InChIKey is WBECHSFEERDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-17(4-2)14-9-7-13(8-10-14)16(18)12-15-6-5-11-19-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone?
1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone has a molecular weight of 273.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 146006031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).