2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone

C15H15Br2NO2S — CID 62116350

IUPAC2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(CN(CCO)Cc1ccccc1)c1cc(Br)sc1Br
InChIInChI=1S/C15H15Br2NO2S/c16-14-8-12(15(17)21-14)13(20)10-18(6-7-19)9-11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2
InChIKeyHRSSOOVVMUEPDI-UHFFFAOYSA-N
MW433.17 g/mol
LogP3.95
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone

2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 62116350) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID62116350
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(CN(CCO)Cc1ccccc1)c1cc(Br)sc1Br
InChIInChI=1S/C15H15Br2NO2S/c16-14-8-12(15(17)21-14)13(20)10-18(6-7-19)9-11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2
InChIKeyHRSSOOVVMUEPDI-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 62114424
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone (CID 62116350) is 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone is O=C(CN(CCO)Cc1ccccc1)c1cc(Br)sc1Br.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is HRSSOOVVMUEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c16-14-8-12(15(17)21-14)13(20)10-18(6-7-19)9-11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone?
2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 433.17 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 62116350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).