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

C11H15Br2NOS — CID 43795311

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
SMILESCCCN(CC)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H15Br2NOS/c1-3-5-14(4-2)7-9(15)8-6-10(12)16-11(8)13/h6H,3-5,7H2,1-2H3
InChIKeyXWSNPDSAVBEVGG-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.19
Rot. Bonds6

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

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone (PubChem CID 43795311) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
PubChem CID43795311
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
SMILESCCCN(CC)CC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H15Br2NOS/c1-3-5-14(4-2)7-9(15)8-6-10(12)16-11(8)13/h6H,3-5,7H2,1-2H3
InChIKeyXWSNPDSAVBEVGG-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184
2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 62116350
1-(2,5-dibromothiophen-3-yl)-2-propylsulfonylethanone
CID 64644308
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354
1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
CID 62784747

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone (CID 43795311) is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone is CCCN(CC)CC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone?
The InChIKey is XWSNPDSAVBEVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-3-5-14(4-2)7-9(15)8-6-10(12)16-11(8)13/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone has a molecular weight of 369.12 g/mol, XLogP of 4.19, 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(propyl)amino]ethanone is sourced from PubChem (CID 43795311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).