N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide

C13H11NO2S2 — CID 113403944

IUPACN-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(C=O)s2)cc1
InChIInChI=1S/C13H11NO2S2/c1-9(16)14-10-2-4-11(5-3-10)17-13-7-6-12(8-15)18-13/h2-8H,1H3,(H,14,16)
InChIKeyBDZQNWWXJGKLBB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.67
Rot. Bonds4

About N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide

N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide (PubChem CID 113403944) has the molecular formula C13H11NO2S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide
PubChem CID113403944
Molecular FormulaC13H11NO2S2
Molecular Weight277.37 g/mol
Exact Mass277.02
IUPAC NameN-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(C=O)s2)cc1
InChIInChI=1S/C13H11NO2S2/c1-9(16)14-10-2-4-11(5-3-10)17-13-7-6-12(8-15)18-13/h2-8H,1H3,(H,14,16)
InChIKeyBDZQNWWXJGKLBB-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide (CID 113403944) is N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc(C=O)s2)cc1.
What is the InChIKey of N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide?
The InChIKey is BDZQNWWXJGKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S2/c1-9(16)14-10-2-4-11(5-3-10)17-13-7-6-12(8-15)18-13/h2-8H,1H3,(H,14,16).
What are the key properties of N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide?
N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 113403944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).