N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide

C13H11NO3S — CID 113403885

IUPACN-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C=O)s1
InChIInChI=1S/C13H11NO3S/c1-9(16)14-11-4-2-3-5-12(11)17-13-7-6-10(8-15)18-13/h2-8H,1H3,(H,14,16)
InChIKeyJRTHCTXHVCOIPM-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.31
Rot. Bonds4

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

N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide (PubChem CID 113403885) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide
PubChem CID113403885
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C=O)s1
InChIInChI=1S/C13H11NO3S/c1-9(16)14-11-4-2-3-5-12(11)17-13-7-6-10(8-15)18-13/h2-8H,1H3,(H,14,16)
InChIKeyJRTHCTXHVCOIPM-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide
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N-(2-ethenoxyphenyl)acetamide
CID 66367179
N-[2-[(E)-prop-1-enoxy]phenyl]acetamide
CID 22313764
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
CID 104717151
N-[2-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetamide
CID 83153581
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide?
The IUPAC name of N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide (CID 113403885) is N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(C=O)s1.
What is the InChIKey of N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide?
The InChIKey is JRTHCTXHVCOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-9(16)14-11-4-2-3-5-12(11)17-13-7-6-10(8-15)18-13/h2-8H,1H3,(H,14,16).
What are the key properties of N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide?
N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide has a molecular weight of 261.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide is sourced from PubChem (CID 113403885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).