(E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide

C15H15NOS — CID 127030668

IUPAC(E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccccc2C)cs1)C(N)=O
InChIInChI=1S/C15H15NOS/c1-10-5-3-4-6-14(10)12-8-13(18-9-12)7-11(2)15(16)17/h3-9H,1-2H3,(H2,16,17)/b11-7+
InChIKeyUECBFMREGKBTAO-YRNVUSSQSA-N
MW257.36 g/mol
LogP3.61
Rot. Bonds3

About (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide

(E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide (PubChem CID 127030668) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide
PubChem CID127030668
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccccc2C)cs1)C(N)=O
InChIInChI=1S/C15H15NOS/c1-10-5-3-4-6-14(10)12-8-13(18-9-12)7-11(2)15(16)17/h3-9H,1-2H3,(H2,16,17)/b11-7+
InChIKeyUECBFMREGKBTAO-YRNVUSSQSA-N
XLogP3.61
TPSA43.09 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 ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide (CID 127030668) is (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide is C/C(=C\c1cc(-c2ccccc2C)cs1)C(N)=O.
What is the InChIKey of (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide?
The InChIKey is UECBFMREGKBTAO-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-5-3-4-6-14(10)12-8-13(18-9-12)7-11(2)15(16)17/h3-9H,1-2H3,(H2,16,17)/b11-7+.
What are the key properties of (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide?
(E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide has a molecular weight of 257.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[4-(2-methylphenyl)thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 127030668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).