N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide

C17H26N2OS — CID 79663417

IUPACN-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1CSc2ccccc21
InChIInChI=1S/C17H26N2OS/c1-4-9-19(12-17(2,3)11-18)16(20)14-10-21-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12,18H2,1-3H3
InChIKeyBMZGLBZFSLFBLG-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.10
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79663417) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79663417
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1CSc2ccccc21
InChIInChI=1S/C17H26N2OS/c1-4-9-19(12-17(2,3)11-18)16(20)14-10-21-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12,18H2,1-3H3
InChIKeyBMZGLBZFSLFBLG-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79663417) is N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide is CCCN(CC(C)(C)CN)C(=O)C1CSc2ccccc21.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is BMZGLBZFSLFBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-9-19(12-17(2,3)11-18)16(20)14-10-21-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79663417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).