1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

C15H16ClNO2S — CID 62029604

IUPAC1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1cccc(CN(C)CC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H16ClNO2S/c1-17(9-11-4-3-5-12(8-11)19-2)10-13(18)14-6-7-15(16)20-14/h3-8H,9-10H2,1-2H3
InChIKeyRNEIINMXKRQASM-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.72
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 62029604) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID62029604
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1cccc(CN(C)CC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H16ClNO2S/c1-17(9-11-4-3-5-12(8-11)19-2)10-13(18)14-6-7-15(16)20-14/h3-8H,9-10H2,1-2H3
InChIKeyRNEIINMXKRQASM-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-methoxybenzoate
CID 2097878
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 78787985

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone (CID 62029604) is 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone is COc1cccc(CN(C)CC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is RNEIINMXKRQASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-17(9-11-4-3-5-12(8-11)19-2)10-13(18)14-6-7-15(16)20-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 309.82 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 62029604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).