1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone

C12H17Br2NOS — CID 43795861

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)CC(C)C
InChIInChI=1S/C12H17Br2NOS/c1-4-15(6-8(2)3)7-10(16)9-5-11(13)17-12(9)14/h5,8H,4,6-7H2,1-3H3
InChIKeyDMDNJGLAIPUULC-UHFFFAOYSA-N
MW383.15 g/mol
LogP4.43
Rot. Bonds6

About 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone (PubChem CID 43795861) has the molecular formula C12H17Br2NOS and a molecular weight of 383.15 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
PubChem CID43795861
Molecular FormulaC12H17Br2NOS
Molecular Weight383.15 g/mol
Exact Mass380.94
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)CC(C)C
InChIInChI=1S/C12H17Br2NOS/c1-4-15(6-8(2)3)7-10(16)9-5-11(13)17-12(9)14/h5,8H,4,6-7H2,1-3H3
InChIKeyDMDNJGLAIPUULC-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Dibromothiophen-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010173
1-(2,5-Dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010356
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 55010458
1-(2,5-Dibromothiophen-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010656
1-(2,5-Dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892162
1-(2,5-Dibromothiophen-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 62967366
1-(2,5-Dibromothiophen-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 65536725
1-(2,5-Dibromothiophen-3-yl)-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
CID 65538446
1-(2,5-Dibromothiophen-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 65538639
1-(2,5-Dibromothiophen-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481233
1-(2,5-Dibromothiophen-3-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 113964580
1-(2,5-Dibromothiophen-3-yl)-2-[2,2-difluoroethyl(methyl)amino]ethanone
CID 116315954

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone (CID 43795861) is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone is CCN(CC(=O)c1cc(Br)sc1Br)CC(C)C.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone?
The InChIKey is DMDNJGLAIPUULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NOS/c1-4-15(6-8(2)3)7-10(16)9-5-11(13)17-12(9)14/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone has a molecular weight of 383.15 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone is sourced from PubChem (CID 43795861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).