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

C13H13Br2NO2S — CID 62037184

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)Cc1ccco1
InChIInChI=1S/C13H13Br2NO2S/c1-2-16(7-9-4-3-5-18-9)8-11(17)10-6-12(14)19-13(10)15/h3-6H,2,7-8H2,1H3
InChIKeySYGZRDYHZSTSNS-UHFFFAOYSA-N
MW407.13 g/mol
LogP4.57
Rot. Bonds6

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

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone (PubChem CID 62037184) has the molecular formula C13H13Br2NO2S and a molecular weight of 407.13 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
PubChem CID62037184
Molecular FormulaC13H13Br2NO2S
Molecular Weight407.13 g/mol
Exact Mass404.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)Cc1ccco1
InChIInChI=1S/C13H13Br2NO2S/c1-2-16(7-9-4-3-5-18-9)8-11(17)10-6-12(14)19-13(10)15/h3-6H,2,7-8H2,1H3
InChIKeySYGZRDYHZSTSNS-UHFFFAOYSA-N
XLogP4.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
2-[ethyl(furan-2-ylmethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62037206
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2-methylpropyl)amino]ethanone
CID 43795861
1-(2,5-dibromothiophen-3-yl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43220024
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62036819
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 62116350
3-bromo-4-[[ethyl(furan-2-ylmethyl)amino]methyl]benzoic acid
CID 102767130

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone (CID 62037184) is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone is CCN(CC(=O)c1cc(Br)sc1Br)Cc1ccco1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
The InChIKey is SYGZRDYHZSTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO2S/c1-2-16(7-9-4-3-5-18-9)8-11(17)10-6-12(14)19-13(10)15/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone has a molecular weight of 407.13 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 62037184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).