5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide

C15H19BrN2OS — CID 81141780

IUPAC5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide
SMILESCC(C)(CC(N)=O)CC(N)c1csc2c(Br)cccc12
InChIInChI=1S/C15H19BrN2OS/c1-15(2,7-13(18)19)6-12(17)10-8-20-14-9(10)4-3-5-11(14)16/h3-5,8,12H,6-7,17H2,1-2H3,(H2,18,19)
InChIKeyIWMSXJLPDBFBMQ-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.96
Rot. Bonds5

About 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide

5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide (PubChem CID 81141780) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide
PubChem CID81141780
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide
SMILESCC(C)(CC(N)=O)CC(N)c1csc2c(Br)cccc12
InChIInChI=1S/C15H19BrN2OS/c1-15(2,7-13(18)19)6-12(17)10-8-20-14-9(10)4-3-5-11(14)16/h3-5,8,12H,6-7,17H2,1-2H3,(H2,18,19)
InChIKeyIWMSXJLPDBFBMQ-UHFFFAOYSA-N
XLogP3.96
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzothiophen-3-yl)-2,2-dimethylbutan-1-ol
CID 81153135
7-bromo-3-(1-bromo-3,5,5-trimethylhexyl)-1-benzothiophene
CID 81146415
1-(7-bromo-1-benzothiophen-3-yl)-2-methyl-2-phenylpropan-1-amine
CID 81132063
1-(7-bromo-1-benzothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 81142132
1-(7-bromo-1-benzothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 81142217
1-(7-bromo-1-benzothiophen-3-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 81141920
1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine
CID 81141835
5-amino-3,3-dimethyl-5-phenylpentanamide
CID 62933322
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
5-amino-5-(2,5-dimethylthiophen-3-yl)-3,3-dimethylpentanamide
CID 62933145

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide?
The IUPAC name of 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide (CID 81141780) is 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide.
What is the SMILES notation for 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide?
The canonical SMILES for 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide is CC(C)(CC(N)=O)CC(N)c1csc2c(Br)cccc12.
What is the InChIKey of 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide?
The InChIKey is IWMSXJLPDBFBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-15(2,7-13(18)19)6-12(17)10-8-20-14-9(10)4-3-5-11(14)16/h3-5,8,12H,6-7,17H2,1-2H3,(H2,18,19).
What are the key properties of 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide?
5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide has a molecular weight of 355.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(7-bromo-1-benzothiophen-3-yl)-3,3-dimethylpentanamide is sourced from PubChem (CID 81141780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).