(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide

C15H14BrNO2S — CID 47330638

IUPAC(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCOc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO2S/c16-12-3-1-4-13(11-12)19-9-8-17-15(18)7-6-14-5-2-10-20-14/h1-7,10-11H,8-9H2,(H,17,18)/b7-6+
InChIKeyXXVGHBFRDNUUAN-VOTSOKGWSA-N
MW352.25 g/mol
LogP3.72
Rot. Bonds6

About (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 47330638) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID47330638
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCCOc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO2S/c16-12-3-1-4-13(11-12)19-9-8-17-15(18)7-6-14-5-2-10-20-14/h1-7,10-11H,8-9H2,(H,17,18)/b7-6+
InChIKeyXXVGHBFRDNUUAN-VOTSOKGWSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55919724
[2-oxo-2-(2-phenoxyethylamino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8609515
N-[2-(3-bromophenoxy)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 76867422
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
(E)-3-(5-chlorothiophen-2-yl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 18206351
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
CID 9483071
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
CID 77009043
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 47330638) is (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCCOc1cccc(Br)c1.
What is the InChIKey of (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XXVGHBFRDNUUAN-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c16-12-3-1-4-13(11-12)19-9-8-17-15(18)7-6-14-5-2-10-20-14/h1-7,10-11H,8-9H2,(H,17,18)/b7-6+.
What are the key properties of (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 352.25 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 47330638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).