N-(4-acetamido-5-formylthiophen-3-yl)acetamide

C9H10N2O3S — CID 15915516

IUPACN-(4-acetamido-5-formylthiophen-3-yl)acetamide
SMILESCC(=O)Nc1csc(C=O)c1NC(C)=O
InChIInChI=1S/C9H10N2O3S/c1-5(13)10-7-4-15-8(3-12)9(7)11-6(2)14/h3-4H,1-2H3,(H,10,13)(H,11,14)
InChIKeyZNKHEBNCEJRFAK-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.48
Rot. Bonds3

About N-(4-acetamido-5-formylthiophen-3-yl)acetamide

N-(4-acetamido-5-formylthiophen-3-yl)acetamide (PubChem CID 15915516) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-(4-acetamido-5-formylthiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-5-formylthiophen-3-yl)acetamide
PubChem CID15915516
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-(4-acetamido-5-formylthiophen-3-yl)acetamide
SMILESCC(=O)Nc1csc(C=O)c1NC(C)=O
InChIInChI=1S/C9H10N2O3S/c1-5(13)10-7-4-15-8(3-12)9(7)11-6(2)14/h3-4H,1-2H3,(H,10,13)(H,11,14)
InChIKeyZNKHEBNCEJRFAK-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-5-formylthiophen-3-yl)acetamide?
The IUPAC name of N-(4-acetamido-5-formylthiophen-3-yl)acetamide (CID 15915516) is N-(4-acetamido-5-formylthiophen-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-5-formylthiophen-3-yl)acetamide?
The canonical SMILES for N-(4-acetamido-5-formylthiophen-3-yl)acetamide is CC(=O)Nc1csc(C=O)c1NC(C)=O.
What is the InChIKey of N-(4-acetamido-5-formylthiophen-3-yl)acetamide?
The InChIKey is ZNKHEBNCEJRFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-5(13)10-7-4-15-8(3-12)9(7)11-6(2)14/h3-4H,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-(4-acetamido-5-formylthiophen-3-yl)acetamide?
N-(4-acetamido-5-formylthiophen-3-yl)acetamide has a molecular weight of 226.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-5-formylthiophen-3-yl)acetamide is sourced from PubChem (CID 15915516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).