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

C14H13NOS — CID 2146472

IUPAC(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H13NOS/c1-11-5-2-3-7-13(11)15-14(16)9-8-12-6-4-10-17-12/h2-10H,1H3,(H,15,16)/b9-8+
InChIKeyKYJJHISSUPYHOC-CMDGGOBGSA-N
MW243.33 g/mol
LogP3.71
Rot. Bonds3

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

(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2146472) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2146472
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H13NOS/c1-11-5-2-3-7-13(11)15-14(16)9-8-12-6-4-10-17-12/h2-10H,1H3,(H,15,16)/b9-8+
InChIKeyKYJJHISSUPYHOC-CMDGGOBGSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
N-(2-methyl-3-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922905
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234930
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 2146472) is (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide is Cc1ccccc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KYJJHISSUPYHOC-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13NOS/c1-11-5-2-3-7-13(11)15-14(16)9-8-12-6-4-10-17-12/h2-10H,1H3,(H,15,16)/b9-8+.
What are the key properties of (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 243.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2146472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).