N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide

C13H15NOS — CID 2824091

IUPACN,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
SMILESCc1c(CC(=O)N(C)C)sc2ccccc12
InChIInChI=1S/C13H15NOS/c1-9-10-6-4-5-7-11(10)16-12(9)8-13(15)14(2)3/h4-7H,8H2,1-3H3
InChIKeyVFSMLEAERGPJDI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.84
Rot. Bonds2

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

N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide (PubChem CID 2824091) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
PubChem CID2824091
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
SMILESCc1c(CC(=O)N(C)C)sc2ccccc12
InChIInChI=1S/C13H15NOS/c1-9-10-6-4-5-7-11(10)16-12(9)8-13(15)14(2)3/h4-7H,8H2,1-3H3
InChIKeyVFSMLEAERGPJDI-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide (CID 2824091) is N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide is Cc1c(CC(=O)N(C)C)sc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The InChIKey is VFSMLEAERGPJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-10-6-4-5-7-11(10)16-12(9)8-13(15)14(2)3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide has a molecular weight of 233.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 2824091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).