2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide

C12H13NOS — CID 600419

IUPAC2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide
SMILESCc1ccc2sc(C)c(CC(N)=O)c2c1
InChIInChI=1S/C12H13NOS/c1-7-3-4-11-10(5-7)9(6-12(13)14)8(2)15-11/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyYDDQZHWAUJSVLK-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.55
Rot. Bonds2

About 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide

2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide (PubChem CID 600419) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide
PubChem CID600419
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide
SMILESCc1ccc2sc(C)c(CC(N)=O)c2c1
InChIInChI=1S/C12H13NOS/c1-7-3-4-11-10(5-7)9(6-12(13)14)8(2)15-11/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyYDDQZHWAUJSVLK-UHFFFAOYSA-N
XLogP2.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.55
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-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
CID 21469682
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
CID 21469691
1-Benzothiophene-2-carboxamide
CID 237073
3-Thiopheneacetamide, alpha-(phenylmethyl)-
CID 3056601
3-[(1-Methylethyl)thio]benzo[b]thiophene-2-carboxamide
CID 10490982
Benzo[b]thiophene-3-acetamide
CID 268631
2-Acetyl-3,5-dimethylbenzo(b)thiophene
CID 605167
1-Benzothiophene-5-carboxamide
CID 23512795
1-(Benzo[b]thiophen-7-yl)-N-hydroxycyclopentanecarboxamide
CID 117618986
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
Benzo[b]thiophene-3-carboxamide
CID 595350

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide (CID 600419) is 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide is Cc1ccc2sc(C)c(CC(N)=O)c2c1.
What is the InChIKey of 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide?
The InChIKey is YDDQZHWAUJSVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-7-3-4-11-10(5-7)9(6-12(13)14)8(2)15-11/h3-5H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide?
2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide has a molecular weight of 219.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetamide is sourced from PubChem (CID 600419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).