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

C12H14N2OS — CID 115151908

IUPACN-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)c1csc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-13-7-12(15)14(2)10-8-16-11-6-4-3-5-9(10)11/h3-6,8,13H,7H2,1-2H3
InChIKeyWUMDFFSLOXTWPB-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.08
Rot. Bonds3

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

N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide (PubChem CID 115151908) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
PubChem CID115151908
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)c1csc2ccccc12
InChIInChI=1S/C12H14N2OS/c1-13-7-12(15)14(2)10-8-16-11-6-4-3-5-9(10)11/h3-6,8,13H,7H2,1-2H3
InChIKeyWUMDFFSLOXTWPB-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
CID 115186945
4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
3-[1-benzothiophen-3-yl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042928
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide (CID 115151908) is N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)c1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide?
The InChIKey is WUMDFFSLOXTWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-13-7-12(15)14(2)10-8-16-11-6-4-3-5-9(10)11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide?
N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide has a molecular weight of 234.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 115151908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).