1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone

C16H18ClNOS — CID 79486408

IUPAC1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
SMILESCC(Cc1cccs1)N(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-12(9-15-7-4-8-20-15)18(2)11-16(19)13-5-3-6-14(17)10-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyZQFTVAAWLMEGMO-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.15
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone

1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone (PubChem CID 79486408) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
PubChem CID79486408
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
SMILESCC(Cc1cccs1)N(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-12(9-15-7-4-8-20-15)18(2)11-16(19)13-5-3-6-14(17)10-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyZQFTVAAWLMEGMO-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
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
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
CID 62628661
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-(5-fluoro-2-hydroxyphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488678
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
N-(3-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494320
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone (CID 79486408) is 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone is CC(Cc1cccs1)N(C)CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
The InChIKey is ZQFTVAAWLMEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-12(9-15-7-4-8-20-15)18(2)11-16(19)13-5-3-6-14(17)10-13/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone?
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone has a molecular weight of 307.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 79486408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).