2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone

C19H25FN2OS — CID 110830545

IUPAC2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCCN(CC)C(CNCC(=O)c1ccc(C)c(F)c1)c1cccs1
InChIInChI=1S/C19H25FN2OS/c1-4-22(5-2)17(19-7-6-10-24-19)12-21-13-18(23)15-9-8-14(3)16(20)11-15/h6-11,17,21H,4-5,12-13H2,1-3H3
InChIKeyJKQPXEKUGYQBAZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.05
Rot. Bonds9

About 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone

2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 110830545) has the molecular formula C19H25FN2OS and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID110830545
Molecular FormulaC19H25FN2OS
Molecular Weight348.49 g/mol
Exact Mass348.17
IUPAC Name2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCCN(CC)C(CNCC(=O)c1ccc(C)c(F)c1)c1cccs1
InChIInChI=1S/C19H25FN2OS/c1-4-22(5-2)17(19-7-6-10-24-19)12-21-13-18(23)15-9-8-14(3)16(20)11-15/h6-11,17,21H,4-5,12-13H2,1-3H3
InChIKeyJKQPXEKUGYQBAZ-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830523
2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110827817
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
ethyl 1-[3-[2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]acetyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 110830415
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110830524
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
CID 112503956
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone
CID 110825860
3-[[2-(diethylamino)-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 110622005

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone (CID 110830545) is 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone is CCN(CC)C(CNCC(=O)c1ccc(C)c(F)c1)c1cccs1.
What is the InChIKey of 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is JKQPXEKUGYQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2OS/c1-4-22(5-2)17(19-7-6-10-24-19)12-21-13-18(23)15-9-8-14(3)16(20)11-15/h6-11,17,21H,4-5,12-13H2,1-3H3.
What are the key properties of 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 348.49 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 110830545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).