2-(2-methyl-1-benzothiophen-3-yl)acetamide

C11H11NOS — CID 595389

IUPAC2-(2-methyl-1-benzothiophen-3-yl)acetamide
SMILESCc1sc2ccccc2c1CC(N)=O
InChIInChI=1S/C11H11NOS/c1-7-9(6-11(12)13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyIKKKWNPUNMXTFR-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.24
Rot. Bonds2

About 2-(2-methyl-1-benzothiophen-3-yl)acetamide

2-(2-methyl-1-benzothiophen-3-yl)acetamide (PubChem CID 595389) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(2-methyl-1-benzothiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1-benzothiophen-3-yl)acetamide
PubChem CID595389
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(2-methyl-1-benzothiophen-3-yl)acetamide
SMILESCc1sc2ccccc2c1CC(N)=O
InChIInChI=1S/C11H11NOS/c1-7-9(6-11(12)13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyIKKKWNPUNMXTFR-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.24
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
N-hydroxy-2-(2-phenylthien-3-yl)acetamide
CID 3786
2-Benzo[b]thiophen-2-yl-N-hydroxy-N-methyl-propionamide
CID 10847360
1-Benzothiophene-2-carboxamide
CID 237073
3-Thiopheneacetamide, alpha-(phenylmethyl)-
CID 3056601
4-(2-Phenyl-1-benzothiophen-3-yl)benzamide
CID 44142501
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
7-[5-(3-Phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
2-(1-Benzothiophen-2-yl)benzamide
CID 46228236

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)acetamide?
The IUPAC name of 2-(2-methyl-1-benzothiophen-3-yl)acetamide (CID 595389) is 2-(2-methyl-1-benzothiophen-3-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1-benzothiophen-3-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1-benzothiophen-3-yl)acetamide is Cc1sc2ccccc2c1CC(N)=O.
What is the InChIKey of 2-(2-methyl-1-benzothiophen-3-yl)acetamide?
The InChIKey is IKKKWNPUNMXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-9(6-11(12)13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3,(H2,12,13).
What are the key properties of 2-(2-methyl-1-benzothiophen-3-yl)acetamide?
2-(2-methyl-1-benzothiophen-3-yl)acetamide has a molecular weight of 205.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzothiophen-3-yl)acetamide is sourced from PubChem (CID 595389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).