N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide

C10H13NOS — CID 4976773

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
SMILESCC(=O)NC1CCCc2sccc21
InChIInChI=1S/C10H13NOS/c1-7(12)11-9-3-2-4-10-8(9)5-6-13-10/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyVAXZXGLXBDGUOY-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.26
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide (PubChem CID 4976773) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
PubChem CID4976773
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
SMILESCC(=O)NC1CCCc2sccc21
InChIInChI=1S/C10H13NOS/c1-7(12)11-9-3-2-4-10-8(9)5-6-13-10/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyVAXZXGLXBDGUOY-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide (CID 4976773) is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide is CC(=O)NC1CCCc2sccc21.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
The InChIKey is VAXZXGLXBDGUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7(12)11-9-3-2-4-10-8(9)5-6-13-10/h5-6,9H,2-4H2,1H3,(H,11,12).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide has a molecular weight of 195.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide is sourced from PubChem (CID 4976773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).