prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate

C13H18N2O3S — CID 46186602

IUPACprop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate
SMILESC=CCOC(=O)NCC(CNC(C)=O)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c1-3-5-18-13(17)15-8-12(7-14-10(2)16)11-4-6-19-9-11/h3-4,6,9,12H,1,5,7-8H2,2H3,(H,14,16)(H,15,17)
InChIKeyZGKLAMFDQULWTF-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.88
Rot. Bonds7

About prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate

prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate (PubChem CID 46186602) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate
PubChem CID46186602
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nameprop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate
SMILESC=CCOC(=O)NCC(CNC(C)=O)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c1-3-5-18-13(17)15-8-12(7-14-10(2)16)11-4-6-19-9-11/h3-4,6,9,12H,1,5,7-8H2,2H3,(H,14,16)(H,15,17)
InChIKeyZGKLAMFDQULWTF-UHFFFAOYSA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate?
The IUPAC name of prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate (CID 46186602) is prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate?
The canonical SMILES for prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate is C=CCOC(=O)NCC(CNC(C)=O)c1ccsc1.
What is the InChIKey of prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate?
The InChIKey is ZGKLAMFDQULWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-5-18-13(17)15-8-12(7-14-10(2)16)11-4-6-19-9-11/h3-4,6,9,12H,1,5,7-8H2,2H3,(H,14,16)(H,15,17).
What are the key properties of prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate?
prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate has a molecular weight of 282.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(3-acetamido-2-thiophen-3-ylpropyl)carbamate is sourced from PubChem (CID 46186602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).