1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone

C15H15Br2NOS — CID 43228317

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)c1ccccc1C
InChIInChI=1S/C15H15Br2NOS/c1-3-18(12-7-5-4-6-10(12)2)9-13(19)11-8-14(16)20-15(11)17/h4-8H,3,9H2,1-2H3
InChIKeyDHBJYWDOZGOJMO-UHFFFAOYSA-N
MW417.17 g/mol
LogP5.29
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone (PubChem CID 43228317) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
PubChem CID43228317
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)c1ccccc1C
InChIInChI=1S/C15H15Br2NOS/c1-3-18(12-7-5-4-6-10(12)2)9-13(19)11-8-14(16)20-15(11)17/h4-8H,3,9H2,1-2H3
InChIKeyDHBJYWDOZGOJMO-UHFFFAOYSA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.17
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)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-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone (CID 43228317) is 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone is CCN(CC(=O)c1cc(Br)sc1Br)c1ccccc1C.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
The InChIKey is DHBJYWDOZGOJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-3-18(12-7-5-4-6-10(12)2)9-13(19)11-8-14(16)20-15(11)17/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone has a molecular weight of 417.17 g/mol, XLogP of 5.29, 5 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-(N-ethyl-2-methylanilino)ethanone is sourced from PubChem (CID 43228317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).