N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide

C13H17NO2S — CID 7243518

IUPACN-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide
SMILESC=CCNC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C13H17NO2S/c1-2-7-14-12(15)13(5-8-16-9-6-13)11-4-3-10-17-11/h2-4,10H,1,5-9H2,(H,14,15)
InChIKeyJPIZTBLUQWZVKP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.10
Rot. Bonds4

About N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide

N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243518) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243518
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide
SMILESC=CCNC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C13H17NO2S/c1-2-7-14-12(15)13(5-8-16-9-6-13)11-4-3-10-17-11/h2-4,10H,1,5-9H2,(H,14,15)
InChIKeyJPIZTBLUQWZVKP-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide (CID 7243518) is N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide is C=CCNC(=O)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is JPIZTBLUQWZVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-7-14-12(15)13(5-8-16-9-6-13)11-4-3-10-17-11/h2-4,10H,1,5-9H2,(H,14,15).
What are the key properties of N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide?
N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).