N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide

C12H13NOS — CID 2824093

IUPACN-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
SMILESCNC(=O)Cc1csc2ccc(C)cc12
InChIInChI=1S/C12H13NOS/c1-8-3-4-11-10(5-8)9(7-15-11)6-12(14)13-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyGVCCUWMZFVKIJS-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.50
Rot. Bonds2

About N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide

N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide (PubChem CID 2824093) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
PubChem CID2824093
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
SMILESCNC(=O)Cc1csc2ccc(C)cc12
InChIInChI=1S/C12H13NOS/c1-8-3-4-11-10(5-8)9(7-15-11)6-12(14)13-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyGVCCUWMZFVKIJS-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide?
The IUPAC name of N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide (CID 2824093) is N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide is CNC(=O)Cc1csc2ccc(C)cc12.
What is the InChIKey of N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide?
The InChIKey is GVCCUWMZFVKIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-3-4-11-10(5-8)9(7-15-11)6-12(14)13-2/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide?
N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide has a molecular weight of 219.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide is sourced from PubChem (CID 2824093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).