(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide

C17H12BrNOS2 — CID 24568053

IUPAC(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)s1)Nc1ccccc1-c1cccs1
InChIInChI=1S/C17H12BrNOS2/c18-16-9-7-12(22-16)8-10-17(20)19-14-5-2-1-4-13(14)15-6-3-11-21-15/h1-11H,(H,19,20)/b10-8+
InChIKeyVPOLDAXRDMYXAJ-CSKARUKUSA-N
MW390.33 g/mol
LogP5.89
Rot. Bonds4

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

(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide (PubChem CID 24568053) has the molecular formula C17H12BrNOS2 and a molecular weight of 390.33 g/mol. Its IUPAC name is (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
PubChem CID24568053
Molecular FormulaC17H12BrNOS2
Molecular Weight390.33 g/mol
Exact Mass388.95
IUPAC Name(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)s1)Nc1ccccc1-c1cccs1
InChIInChI=1S/C17H12BrNOS2/c18-16-9-7-12(22-16)8-10-17(20)19-14-5-2-1-4-13(14)15-6-3-11-21-15/h1-11H,(H,19,20)/b10-8+
InChIKeyVPOLDAXRDMYXAJ-CSKARUKUSA-N
XLogP5.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.33
LogP ≤ 55.89
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

5-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 47131134
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 16577559
(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
CID 55715150
(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498177
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]thiophene-3-carboxamide
CID 154770259
(E)-3-(1-benzyltriazol-4-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568121
3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 78778651
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
(E)-N-(2-bromo-4-methylphenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 26524126
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide (CID 24568053) is (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(Br)s1)Nc1ccccc1-c1cccs1.
What is the InChIKey of (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
The InChIKey is VPOLDAXRDMYXAJ-CSKARUKUSA-N. The full InChI is InChI=1S/C17H12BrNOS2/c18-16-9-7-12(22-16)8-10-17(20)19-14-5-2-1-4-13(14)15-6-3-11-21-15/h1-11H,(H,19,20)/b10-8+.
What are the key properties of (E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide?
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide has a molecular weight of 390.33 g/mol, XLogP of 5.89, 4 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-thiophen-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 24568053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).