(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide

C13H10BrNOS — CID 30267608

IUPAC(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1cccc(Br)c1
InChIInChI=1S/C13H10BrNOS/c14-11-2-1-3-12(8-11)15-13(16)5-4-10-6-7-17-9-10/h1-9H,(H,15,16)/b5-4+
InChIKeyXZVGZXRMXGMEOA-SNAWJCMRSA-N
MW308.20 g/mol
LogP4.16
Rot. Bonds3

About (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 30267608) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID30267608
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1cccc(Br)c1
InChIInChI=1S/C13H10BrNOS/c14-11-2-1-3-12(8-11)15-13(16)5-4-10-6-7-17-9-10/h1-9H,(H,15,16)/b5-4+
InChIKeyXZVGZXRMXGMEOA-SNAWJCMRSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
4-(3-bromoanilino)-4-oxobut-2-enoic acid
CID 708585
(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 51191800
(E)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylprop-2-enamide
CID 60582072
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
(E)-N-(3-bromophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6018482

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide (CID 30267608) is (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is XZVGZXRMXGMEOA-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-11-2-1-3-12(8-11)15-13(16)5-4-10-6-7-17-9-10/h1-9H,(H,15,16)/b5-4+.
What are the key properties of (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 308.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 30267608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).