N-[(5-acetylthiophen-2-yl)methyl]acetamide

C9H11NO2S — CID 7131592

IUPACN-[(5-acetylthiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc(C(C)=O)s1
InChIInChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyUDCCRNVIUZAEHV-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.59
Rot. Bonds3

About N-[(5-acetylthiophen-2-yl)methyl]acetamide

N-[(5-acetylthiophen-2-yl)methyl]acetamide (PubChem CID 7131592) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(5-acetylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-acetylthiophen-2-yl)methyl]acetamide
PubChem CID7131592
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-[(5-acetylthiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc(C(C)=O)s1
InChIInChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyUDCCRNVIUZAEHV-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-acetylthiophen-2-yl)methyl]acetamide (CID 7131592) is N-[(5-acetylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-acetylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-acetylthiophen-2-yl)methyl]acetamide is CC(=O)NCc1ccc(C(C)=O)s1.
What is the InChIKey of N-[(5-acetylthiophen-2-yl)methyl]acetamide?
The InChIKey is UDCCRNVIUZAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of N-[(5-acetylthiophen-2-yl)methyl]acetamide?
N-[(5-acetylthiophen-2-yl)methyl]acetamide has a molecular weight of 197.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 7131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).