N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide

C12H13NO3S2 — CID 10423965

IUPACN-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide
SMILESCCONC(=O)C(O)(c1ccsc1)c1ccsc1
InChIInChI=1S/C12H13NO3S2/c1-2-16-13-11(14)12(15,9-3-5-17-7-9)10-4-6-18-8-10/h3-8,15H,2H2,1H3,(H,13,14)
InChIKeyNSKSYRDHMGIIEN-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.11
Rot. Bonds5

About N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide

N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide (PubChem CID 10423965) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide
PubChem CID10423965
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide
SMILESCCONC(=O)C(O)(c1ccsc1)c1ccsc1
InChIInChI=1S/C12H13NO3S2/c1-2-16-13-11(14)12(15,9-3-5-17-7-9)10-4-6-18-8-10/h3-8,15H,2H2,1H3,(H,13,14)
InChIKeyNSKSYRDHMGIIEN-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide?
The IUPAC name of N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide (CID 10423965) is N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide.
What is the SMILES notation for N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide?
The canonical SMILES for N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide is CCONC(=O)C(O)(c1ccsc1)c1ccsc1.
What is the InChIKey of N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide?
The InChIKey is NSKSYRDHMGIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-2-16-13-11(14)12(15,9-3-5-17-7-9)10-4-6-18-8-10/h3-8,15H,2H2,1H3,(H,13,14).
What are the key properties of N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide?
N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-hydroxy-2,2-di(thiophen-3-yl)acetamide is sourced from PubChem (CID 10423965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).