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

C16H17NOS — CID 6085579

IUPAC(E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccs2)c(C)c1
InChIInChI=1S/C16H17NOS/c1-12-5-6-14(13(2)10-12)7-8-16(18)17-11-15-4-3-9-19-15/h3-10H,11H2,1-2H3,(H,17,18)/b8-7+
InChIKeyJLJNSMHAAKJHQC-BQYQJAHWSA-N
MW271.38 g/mol
LogP3.69
Rot. Bonds4

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

(E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 6085579) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID6085579
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccs2)c(C)c1
InChIInChI=1S/C16H17NOS/c1-12-5-6-14(13(2)10-12)7-8-16(18)17-11-15-4-3-9-19-15/h3-10H,11H2,1-2H3,(H,17,18)/b8-7+
InChIKeyJLJNSMHAAKJHQC-BQYQJAHWSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.69
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

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4779994
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 2933240
N-[1-(4-ethylphenyl)ethyl]thiophene-2-carboxamide
CID 3504524
N-(1-phenylethyl)thiophene-2-carboxamide
CID 2818070
N-[(4-methylphenyl)methyl]-2-(thiophen-2-yl)acetamide
CID 670058

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 6085579) is (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2cccs2)c(C)c1.
What is the InChIKey of (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is JLJNSMHAAKJHQC-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-5-6-14(13(2)10-12)7-8-16(18)17-11-15-4-3-9-19-15/h3-10H,11H2,1-2H3,(H,17,18)/b8-7+.
What are the key properties of (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 271.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 6085579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).