2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone

C16H18BrNO2S — CID 62037739

IUPAC2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-3-20-15-7-5-4-6-13(15)14(19)10-18(2)9-12-8-16(17)21-11-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyMMHQHGNPSYXVGP-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.22
Rot. Bonds7

About 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone

2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone (PubChem CID 62037739) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone
PubChem CID62037739
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-3-20-15-7-5-4-6-13(15)14(19)10-18(2)9-12-8-16(17)21-11-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyMMHQHGNPSYXVGP-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone
CID 62037157
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
2-ethoxybenzoyl bromide
CID 19426336
1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796755
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone (CID 62037739) is 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)CN(C)Cc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone?
The InChIKey is MMHQHGNPSYXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-3-20-15-7-5-4-6-13(15)14(19)10-18(2)9-12-8-16(17)21-11-12/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone?
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone has a molecular weight of 368.30 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 62037739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).