(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide

C15H14BrNO2S — CID 55715150

IUPAC(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
SMILESCOCc1ccccc1NC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C15H14BrNO2S/c1-19-10-11-4-2-3-5-13(11)17-15(18)9-7-12-6-8-14(16)20-12/h2-9H,10H2,1H3,(H,17,18)/b9-7+
InChIKeyZEXZTQVALYSAQP-VQHVLOKHSA-N
MW352.25 g/mol
LogP4.31
Rot. Bonds5

About (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide

(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide (PubChem CID 55715150) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
PubChem CID55715150
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
SMILESCOCc1ccccc1NC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C15H14BrNO2S/c1-19-10-11-4-2-3-5-13(11)17-15(18)9-7-12-6-8-14(16)20-12/h2-9H,10H2,1H3,(H,17,18)/b9-7+
InChIKeyZEXZTQVALYSAQP-VQHVLOKHSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498177
(E)-4-[2-(methoxymethyl)anilino]-4-oxobut-2-enoic acid
CID 54868087
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568053
(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 26524126
cyclopropane;methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
CID 70627909
(E)-3-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]-N-[2-(methoxymethyl)phenyl]prop-2-enamide
CID 86954073
2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415747
3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 78778651
(E)-3-(5-bromothiophen-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]prop-2-enehydrazide
CID 55333982
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252
5-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid
CID 43474334

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide (CID 55715150) is (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide is COCc1ccccc1NC(=O)/C=C/c1ccc(Br)s1.
What is the InChIKey of (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide?
The InChIKey is ZEXZTQVALYSAQP-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-19-10-11-4-2-3-5-13(11)17-15(18)9-7-12-6-8-14(16)20-12/h2-9H,10H2,1H3,(H,17,18)/b9-7+.
What are the key properties of (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide?
(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide has a molecular weight of 352.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55715150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).