(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

C15H13BrN2O2S — CID 6215067

IUPAC(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrN2O2S/c16-12-5-1-2-6-13(12)18-15(20)10-17-14(19)8-7-11-4-3-9-21-11/h1-9H,10H2,(H,17,19)(H,18,20)/b8-7+
InChIKeyHYOOSHCQOCXBDR-BQYQJAHWSA-N
MW365.25 g/mol
LogP3.28
Rot. Bonds5

About (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6215067) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6215067
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H13BrN2O2S/c16-12-5-1-2-6-13(12)18-15(20)10-17-14(19)8-7-11-4-3-9-21-11/h1-9H,10H2,(H,17,19)(H,18,20)/b8-7+
InChIKeyHYOOSHCQOCXBDR-BQYQJAHWSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9426898
N-[2-(2-bromoanilino)-2-oxoethyl]hexa-2,4-dienamide
CID 47101356
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
CID 40730718
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2-bromoanilino)-2-oxoethyl]prop-2-enamide
CID 9440734
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653663
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (CID 6215067) is (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HYOOSHCQOCXBDR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-12-5-1-2-6-13(12)18-15(20)10-17-14(19)8-7-11-4-3-9-21-11/h1-9H,10H2,(H,17,19)(H,18,20)/b8-7+.
What are the key properties of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 365.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6215067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).