(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one

C14H12ClNO2S — CID 2210726

IUPAC(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(Cl)cc1N/C=C/C(=O)c1cccs1
InChIInChI=1S/C14H12ClNO2S/c1-18-13-5-4-10(15)9-11(13)16-7-6-12(17)14-3-2-8-19-14/h2-9,16H,1H3/b7-6+
InChIKeyWZQQTFOCTNNORZ-VOTSOKGWSA-N
MW293.78 g/mol
LogP4.22
Rot. Bonds5

About (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one

(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 2210726) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID2210726
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(Cl)cc1N/C=C/C(=O)c1cccs1
InChIInChI=1S/C14H12ClNO2S/c1-18-13-5-4-10(15)9-11(13)16-7-6-12(17)14-3-2-8-19-14/h2-9,16H,1H3/b7-6+
InChIKeyWZQQTFOCTNNORZ-VOTSOKGWSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one 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

methyl (E)-3-(5-chloro-2-methoxyanilino)prop-2-enoate
CID 103233655
3-(5-chloro-2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5146329
(E)-1-(2,4-dichlorophenyl)-3-(2-methoxyanilino)prop-2-en-1-one
CID 126182433
N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 1323835
2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzoate
CID 2208935
methyl (E)-4-oxo-4-thiophen-2-ylbut-2-enoate
CID 12533385
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
(E)-3-(4-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2210959
2-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]acetonitrile
CID 43834759
2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzonitrile
CID 6023211
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653720
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 108546186

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one (CID 2210726) is (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one is COc1ccc(Cl)cc1N/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is WZQQTFOCTNNORZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-18-13-5-4-10(15)9-11(13)16-7-6-12(17)14-3-2-8-19-14/h2-9,16H,1H3/b7-6+.
What are the key properties of (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 293.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 2210726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).