(E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide

C13H18N2O2S — CID 47234704

IUPAC(E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide
SMILESCCCCN(CC(N)=O)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C13H18N2O2S/c1-2-3-7-15(9-12(14)16)13(17)5-4-11-6-8-18-10-11/h4-6,8,10H,2-3,7,9H2,1H3,(H2,14,16)/b5-4+
InChIKeyATPULHIZDUCTRZ-SNAWJCMRSA-N
MW266.37 g/mol
LogP1.88
Rot. Bonds7

About (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide

(E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide (PubChem CID 47234704) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide
PubChem CID47234704
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide
SMILESCCCCN(CC(N)=O)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C13H18N2O2S/c1-2-3-7-15(9-12(14)16)13(17)5-4-11-6-8-18-10-11/h4-6,8,10H,2-3,7,9H2,1H3,(H2,14,16)/b5-4+
InChIKeyATPULHIZDUCTRZ-SNAWJCMRSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.88
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-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide (CID 47234704) is (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide is CCCCN(CC(N)=O)C(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide?
The InChIKey is ATPULHIZDUCTRZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-3-7-15(9-12(14)16)13(17)5-4-11-6-8-18-10-11/h4-6,8,10H,2-3,7,9H2,1H3,(H2,14,16)/b5-4+.
What are the key properties of (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide?
(E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide has a molecular weight of 266.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethyl)-N-butyl-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 47234704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).