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

C7H6BrNOS — CID 43236333

IUPAC(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C7H6BrNOS/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H2,9,10)/b4-2+
InChIKeyTZYTYGYHCQXQHN-DUXPYHPUSA-N
MW232.10 g/mol
LogP2.01
Rot. Bonds2

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

(E)-3-(5-bromothiophen-2-yl)prop-2-enamide (PubChem CID 43236333) has the molecular formula C7H6BrNOS and a molecular weight of 232.10 g/mol. Its IUPAC name is (E)-3-(5-bromothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
PubChem CID43236333
Molecular FormulaC7H6BrNOS
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C7H6BrNOS/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H2,9,10)/b4-2+
InChIKeyTZYTYGYHCQXQHN-DUXPYHPUSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.01
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

(2-amino-2-oxoethyl) (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712568
[2-(carbamoylamino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712524
(Z)-1-(azepan-1-yl)-3-(5-bromothiophen-2-yl)prop-2-en-1-one
CID 97305758
(E)-3-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 6141148
cyclopropane;methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
CID 70627909
(E)-3-(5-bromothiophen-2-yl)-1-[5-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-pyridinyl]prop-2-en-1-one
CID 6263333
(E)-3-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)prop-2-en-1-one
CID 8853750
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
2-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]thiophene-3-carboxamide
CID 154770259
(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 9442219
(Z)-3-(5-propylthiophen-2-yl)prop-2-enamide
CID 55267151
(E)-3-(5-bromothiophen-2-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115410076

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromothiophen-2-yl)prop-2-enamide (CID 43236333) is (E)-3-(5-bromothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromothiophen-2-yl)prop-2-enamide is NC(=O)/C=C/c1ccc(Br)s1.
What is the InChIKey of (E)-3-(5-bromothiophen-2-yl)prop-2-enamide?
The InChIKey is TZYTYGYHCQXQHN-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H6BrNOS/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H2,9,10)/b4-2+.
What are the key properties of (E)-3-(5-bromothiophen-2-yl)prop-2-enamide?
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide has a molecular weight of 232.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 43236333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).