(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide

C14H20N2O2S — CID 24633745

IUPAC(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESCCN(CC(=O)NC(C)C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C14H20N2O2S/c1-4-16(9-13(17)15-11(2)3)14(18)6-5-12-7-8-19-10-12/h5-8,10-11H,4,9H2,1-3H3,(H,15,17)/b6-5+
InChIKeyDXBZSBSJZFENRL-AATRIKPKSA-N
MW280.39 g/mol
LogP2.13
Rot. Bonds6

About (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 24633745) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID24633745
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide
SMILESCCN(CC(=O)NC(C)C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C14H20N2O2S/c1-4-16(9-13(17)15-11(2)3)14(18)6-5-12-7-8-19-10-12/h5-8,10-11H,4,9H2,1-3H3,(H,15,17)/b6-5+
InChIKeyDXBZSBSJZFENRL-AATRIKPKSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide (CID 24633745) is (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide is CCN(CC(=O)NC(C)C)C(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is DXBZSBSJZFENRL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-16(9-13(17)15-11(2)3)14(18)6-5-12-7-8-19-10-12/h5-8,10-11H,4,9H2,1-3H3,(H,15,17)/b6-5+.
What are the key properties of (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 280.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 24633745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).