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

C10H9Br2NOS — CID 47439352

IUPAC(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESC=C(Br)CNC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C10H9Br2NOS/c1-7(11)6-13-10(14)5-3-8-2-4-9(12)15-8/h2-5H,1,6H2,(H,13,14)/b5-3+
InChIKeyBVPQEUYHMBKPKO-HWKANZROSA-N
MW351.06 g/mol
LogP3.55
Rot. Bonds4

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

(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide (PubChem CID 47439352) has the molecular formula C10H9Br2NOS and a molecular weight of 351.06 g/mol. Its IUPAC name is (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
PubChem CID47439352
Molecular FormulaC10H9Br2NOS
Molecular Weight351.06 g/mol
Exact Mass348.88
IUPAC Name(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESC=C(Br)CNC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C10H9Br2NOS/c1-7(11)6-13-10(14)5-3-8-2-4-9(12)15-8/h2-5H,1,6H2,(H,13,14)/b5-3+
InChIKeyBVPQEUYHMBKPKO-HWKANZROSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 53.55
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

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N-[3-(azepan-1-yl)propyl]-3-(5-bromothiophen-2-yl)prop-2-enamide
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CID 61263021
4-[(E)-3-(2-bromoprop-2-enylamino)-3-oxoprop-1-enyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide (CID 47439352) is (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide is C=C(Br)CNC(=O)/C=C/c1ccc(Br)s1.
What is the InChIKey of (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The InChIKey is BVPQEUYHMBKPKO-HWKANZROSA-N. The full InChI is InChI=1S/C10H9Br2NOS/c1-7(11)6-13-10(14)5-3-8-2-4-9(12)15-8/h2-5H,1,6H2,(H,13,14)/b5-3+.
What are the key properties of (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide?
(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide has a molecular weight of 351.06 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 47439352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).