1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone

C17H21NOS — CID 62052839

IUPAC1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-4-14-7-9-15(10-8-14)16(19)12-18(3)13(2)17-6-5-11-20-17/h5-11,13H,4,12H2,1-3H3
InChIKeyRUPOWOMKTLICHP-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.19
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone

1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone (PubChem CID 62052839) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
PubChem CID62052839
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C17H21NOS/c1-4-14-7-9-15(10-8-14)16(19)12-18(3)13(2)17-6-5-11-20-17/h5-11,13H,4,12H2,1-3H3
InChIKeyRUPOWOMKTLICHP-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
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methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone (CID 62052839) is 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone is CCc1ccc(C(=O)CN(C)C(C)c2cccs2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
The InChIKey is RUPOWOMKTLICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-14-7-9-15(10-8-14)16(19)12-18(3)13(2)17-6-5-11-20-17/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone has a molecular weight of 287.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone is sourced from PubChem (CID 62052839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).