(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide

C13H9Br2NOS — CID 129245252

IUPAC(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)s1)Nc1cccc(Br)c1
InChIInChI=1S/C13H9Br2NOS/c14-9-2-1-3-10(8-9)16-13(17)7-5-11-4-6-12(15)18-11/h1-8H,(H,16,17)/b7-5+
InChIKeyJFOQVZIXDSRXFK-FNORWQNLSA-N
MW387.10 g/mol
LogP4.93
Rot. Bonds3

About (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide

(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide (PubChem CID 129245252) has the molecular formula C13H9Br2NOS and a molecular weight of 387.10 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
PubChem CID129245252
Molecular FormulaC13H9Br2NOS
Molecular Weight387.10 g/mol
Exact Mass384.88
IUPAC Name(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)s1)Nc1cccc(Br)c1
InChIInChI=1S/C13H9Br2NOS/c14-9-2-1-3-10(8-9)16-13(17)7-5-11-4-6-12(15)18-11/h1-8H,(H,16,17)/b7-5+
InChIKeyJFOQVZIXDSRXFK-FNORWQNLSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.10
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-bromophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
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(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
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(E)-3-(5-bromothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
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(E)-3-(5-bromothiophen-2-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
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(E)-3-(5-bromothiophen-2-yl)-N-(4-methyl-3-nitrophenyl)prop-2-enamide
CID 26575565
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
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CID 35437293
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
N-(3-bromophenyl)-4-chlorobut-2-enamide
CID 123887531
3-(5-bromothiophen-2-yl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]prop-2-enamide
CID 76866032

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide (CID 129245252) is (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(Br)s1)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The InChIKey is JFOQVZIXDSRXFK-FNORWQNLSA-N. The full InChI is InChI=1S/C13H9Br2NOS/c14-9-2-1-3-10(8-9)16-13(17)7-5-11-4-6-12(15)18-11/h1-8H,(H,16,17)/b7-5+.
What are the key properties of (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide has a molecular weight of 387.10 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 129245252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).