(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide

C15H15ClN2OS — CID 134046686

IUPAC(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cccnc1
InChIInChI=1S/C15H15ClN2OS/c1-2-18(11-13-6-7-14(16)20-13)15(19)8-5-12-4-3-9-17-10-12/h3-10H,2,11H2,1H3/b8-5+
InChIKeyVVBKJDWRCBWGPI-VMPITWQZSA-N
MW306.82 g/mol
LogP3.86
Rot. Bonds5

About (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide

(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 134046686) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
PubChem CID134046686
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cccnc1
InChIInChI=1S/C15H15ClN2OS/c1-2-18(11-13-6-7-14(16)20-13)15(19)8-5-12-4-3-9-17-10-12/h3-10H,2,11H2,1H3/b8-5+
InChIKeyVVBKJDWRCBWGPI-VMPITWQZSA-N
XLogP3.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide (CID 134046686) is (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide is CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is VVBKJDWRCBWGPI-VMPITWQZSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-18(11-13-6-7-14(16)20-13)15(19)8-5-12-4-3-9-17-10-12/h3-10H,2,11H2,1H3/b8-5+.
What are the key properties of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 306.82 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 134046686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).