1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one

C16H18ClNOS — CID 62628661

IUPAC1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
SMILESCC(c1cccs1)N(C)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-12(16-7-4-10-20-16)18(2)9-8-15(19)13-5-3-6-14(17)11-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyKQFZYLFFQZXPPN-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.67
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one

1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one (PubChem CID 62628661) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
PubChem CID62628661
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
SMILESCC(c1cccs1)N(C)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c1-12(16-7-4-10-20-16)18(2)9-8-15(19)13-5-3-6-14(17)11-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyKQFZYLFFQZXPPN-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
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1-(3-chlorophenyl)-3-[propan-2-yl(propyl)amino]propan-1-one
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1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
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1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
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1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
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1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
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1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
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3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
CID 62629534

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one (CID 62628661) is 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one is CC(c1cccs1)N(C)CCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
The InChIKey is KQFZYLFFQZXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-12(16-7-4-10-20-16)18(2)9-8-15(19)13-5-3-6-14(17)11-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one?
1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one has a molecular weight of 307.85 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one is sourced from PubChem (CID 62628661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).