N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide

C16H21NOS — CID 86990643

IUPACN-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)Cc1csc2ccccc12
InChIInChI=1S/C16H21NOS/c1-12(2)8-9-16(18)17(3)10-13-11-19-15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyGLBRPSSDVIQAPX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.30
Rot. Bonds5

About N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide

N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide (PubChem CID 86990643) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
PubChem CID86990643
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)Cc1csc2ccccc12
InChIInChI=1S/C16H21NOS/c1-12(2)8-9-16(18)17(3)10-13-11-19-15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyGLBRPSSDVIQAPX-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559866
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
1-benzothiophen-3-ylmethyl 4-methylpentanoate
CID 55885356
2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
CID 119956414
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
4-[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672892

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide (CID 86990643) is N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)Cc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide?
The InChIKey is GLBRPSSDVIQAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(2)8-9-16(18)17(3)10-13-11-19-15-7-5-4-6-14(13)15/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide?
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide has a molecular weight of 275.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 86990643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).