2-(1-benzothiophen-4-yl)acetamide

C10H9NOS — CID 21256510

IUPAC2-(1-benzothiophen-4-yl)acetamide
SMILESNC(=O)Cc1cccc2sccc12
InChIInChI=1S/C10H9NOS/c11-10(12)6-7-2-1-3-9-8(7)4-5-13-9/h1-5H,6H2,(H2,11,12)
InChIKeyKTAIMVIYPUJRRA-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.93
Rot. Bonds2

About 2-(1-benzothiophen-4-yl)acetamide

2-(1-benzothiophen-4-yl)acetamide (PubChem CID 21256510) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(1-benzothiophen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-4-yl)acetamide
PubChem CID21256510
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-(1-benzothiophen-4-yl)acetamide
SMILESNC(=O)Cc1cccc2sccc12
InChIInChI=1S/C10H9NOS/c11-10(12)6-7-2-1-3-9-8(7)4-5-13-9/h1-5H,6H2,(H2,11,12)
InChIKeyKTAIMVIYPUJRRA-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
CID 2824093
1-Benzothiophene-2-carboxamide
CID 237073
3-Thiopheneacetamide, alpha-(phenylmethyl)-
CID 3056601
2-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)acetamide
CID 342599
3-[(1-Methylethyl)thio]benzo[b]thiophene-2-carboxamide
CID 10490982
Benzo[b]thiophene-3-acetamide
CID 268631
1-(Benzo[b]thiophen-7-yl)-N-hydroxycyclopentanecarboxamide
CID 117618986
2-(1-Benzothiophen-2-yl)benzamide
CID 46228236
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
Benzo[b]thiophene-3-carboxamide
CID 595350
(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide
CID 129389178
2-(Benzothiophen-3-yl)acetohydrazide
CID 227330

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-4-yl)acetamide?
The IUPAC name of 2-(1-benzothiophen-4-yl)acetamide (CID 21256510) is 2-(1-benzothiophen-4-yl)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-4-yl)acetamide?
The canonical SMILES for 2-(1-benzothiophen-4-yl)acetamide is NC(=O)Cc1cccc2sccc12.
What is the InChIKey of 2-(1-benzothiophen-4-yl)acetamide?
The InChIKey is KTAIMVIYPUJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c11-10(12)6-7-2-1-3-9-8(7)4-5-13-9/h1-5H,6H2,(H2,11,12).
What are the key properties of 2-(1-benzothiophen-4-yl)acetamide?
2-(1-benzothiophen-4-yl)acetamide has a molecular weight of 191.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-4-yl)acetamide is sourced from PubChem (CID 21256510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).