2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide

C15H20N2O3S2 — CID 119956414

IUPAC2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(Cc1csc2ccccc12)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C15H20N2O3S2/c1-17(15(18)13(16)7-8-22(2,19)20)9-11-10-21-14-6-4-3-5-12(11)14/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyJPGZARIGNRNUSG-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.62
Rot. Bonds6

About 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide

2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide (PubChem CID 119956414) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
PubChem CID119956414
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(Cc1csc2ccccc12)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C15H20N2O3S2/c1-17(15(18)13(16)7-8-22(2,19)20)9-11-10-21-14-6-4-3-5-12(11)14/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyJPGZARIGNRNUSG-UHFFFAOYSA-N
XLogP1.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
CID 124596970
4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559866
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylbutanamide
CID 60937787
2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide (CID 119956414) is 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide is CN(Cc1csc2ccccc12)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is JPGZARIGNRNUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-17(15(18)13(16)7-8-22(2,19)20)9-11-10-21-14-6-4-3-5-12(11)14/h3-6,10,13H,7-9,16H2,1-2H3.
What are the key properties of 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 340.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).