ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide

C15H23NOS — CID 143295562

IUPACethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide
SMILESC=C.C=CCCC(=O)N(C)Cc1ccc(CC)s1
InChIInChI=1S/C13H19NOS.C2H4/c1-4-6-7-13(15)14(3)10-12-9-8-11(5-2)16-12;1-2/h4,8-9H,1,5-7,10H2,2-3H3;1-2H2
InChIKeyVMRHAJZRTJDRGG-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.04
Rot. Bonds6

About ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide

ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide (PubChem CID 143295562) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide.

Molecular Properties

Compound Nameethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide
PubChem CID143295562
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Nameethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide
SMILESC=C.C=CCCC(=O)N(C)Cc1ccc(CC)s1
InChIInChI=1S/C13H19NOS.C2H4/c1-4-6-7-13(15)14(3)10-12-9-8-11(5-2)16-12;1-2/h4,8-9H,1,5-7,10H2,2-3H3;1-2H2
InChIKeyVMRHAJZRTJDRGG-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide?
The IUPAC name of ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide (CID 143295562) is ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide.
What is the SMILES notation for ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide?
The canonical SMILES for ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide is C=C.C=CCCC(=O)N(C)Cc1ccc(CC)s1.
What is the InChIKey of ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide?
The InChIKey is VMRHAJZRTJDRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.C2H4/c1-4-6-7-13(15)14(3)10-12-9-8-11(5-2)16-12;1-2/h4,8-9H,1,5-7,10H2,2-3H3;1-2H2.
What are the key properties of ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide?
ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide has a molecular weight of 265.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(5-ethylthiophen-2-yl)methyl]-N-methylpent-4-enamide is sourced from PubChem (CID 143295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).