(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide

C15H15NOS — CID 922914

IUPAC(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccs2)c(C)c1
InChIInChI=1S/C15H15NOS/c1-11-5-7-14(12(2)10-11)16-15(17)8-6-13-4-3-9-18-13/h3-10H,1-2H3,(H,16,17)/b8-6+
InChIKeyWXHFSIVRCXJTOO-SOFGYWHQSA-N
MW257.36 g/mol
LogP4.02
Rot. Bonds3

About (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 922914) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID922914
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccs2)c(C)c1
InChIInChI=1S/C15H15NOS/c1-11-5-7-14(12(2)10-11)16-15(17)8-6-13-4-3-9-18-13/h3-10H,1-2H3,(H,16,17)/b8-6+
InChIKeyWXHFSIVRCXJTOO-SOFGYWHQSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.02
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

(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8957024
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
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 922914) is (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccs2)c(C)c1.
What is the InChIKey of (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WXHFSIVRCXJTOO-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-5-7-14(12(2)10-11)16-15(17)8-6-13-4-3-9-18-13/h3-10H,1-2H3,(H,16,17)/b8-6+.
What are the key properties of (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 257.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 922914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).