(E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide

C14H12ClNO2S — CID 2344391

IUPAC(E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H12ClNO2S/c1-18-13-6-4-10(15)9-12(13)16-14(17)7-5-11-3-2-8-19-11/h2-9H,1H3,(H,16,17)/b7-5+
InChIKeyOWAZTJLZDVXNMT-FNORWQNLSA-N
MW293.78 g/mol
LogP4.06
Rot. Bonds4

About (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2344391) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2344391
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name(E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H12ClNO2S/c1-18-13-6-4-10(15)9-12(13)16-14(17)7-5-11-3-2-8-19-11/h2-9H,1H3,(H,16,17)/b7-5+
InChIKeyOWAZTJLZDVXNMT-FNORWQNLSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.06
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

N-(5-chloro-2-methoxyphenyl)-N'-(2-thienylmethyl)thiourea
CID 970598
1-(5-Chloro-2-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 972287
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342860
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965785
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
3-[(2-Aminophenyl)thio]-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 2732654
N-(2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1247619
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide
CID 24982363
N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 803021
3-(2-Methoxyphenyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 2178133
N-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7217414
N-(2-methoxyphenyl)-2-(2-thienyl)acetamide
CID 779612

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide (CID 2344391) is (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide is COc1ccc(Cl)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OWAZTJLZDVXNMT-FNORWQNLSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-18-13-6-4-10(15)9-12(13)16-14(17)7-5-11-3-2-8-19-11/h2-9H,1H3,(H,16,17)/b7-5+.
What are the key properties of (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 293.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-methoxyphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2344391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).