N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H18N2O4S — CID 4796218

IUPACN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)C1=COCCO1
InChIInChI=1S/C14H18N2O4S/c1-2-16(14(18)12-10-19-5-6-20-12)9-13(17)15-8-11-4-3-7-21-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyUGUCTKMZSXLFPT-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.10
Rot. Bonds6

About N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4796218) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID4796218
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)C1=COCCO1
InChIInChI=1S/C14H18N2O4S/c1-2-16(14(18)12-10-19-5-6-20-12)9-13(17)15-8-11-4-3-7-21-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyUGUCTKMZSXLFPT-UHFFFAOYSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4796218) is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)C1=COCCO1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is UGUCTKMZSXLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-16(14(18)12-10-19-5-6-20-12)9-13(17)15-8-11-4-3-7-21-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4796218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).