N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide

C12H17NO3S2 — CID 70773653

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide
SMILESCCN(C(=O)Cc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H17NO3S2/c1-2-13(11-4-6-18(15,16)9-11)12(14)7-10-3-5-17-8-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKeyQNGYFNYJIMPQCU-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.33
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide (PubChem CID 70773653) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide
PubChem CID70773653
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide
SMILESCCN(C(=O)Cc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H17NO3S2/c1-2-13(11-4-6-18(15,16)9-11)12(14)7-10-3-5-17-8-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKeyQNGYFNYJIMPQCU-UHFFFAOYSA-N
XLogP1.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide (CID 70773653) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide is CCN(C(=O)Cc1ccsc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide?
The InChIKey is QNGYFNYJIMPQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-2-13(11-4-6-18(15,16)9-11)12(14)7-10-3-5-17-8-10/h3,5,8,11H,2,4,6-7,9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide has a molecular weight of 287.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 70773653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).