N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide

C15H19NO2S — CID 122151930

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCN(CC(C)(C)CO)C(=O)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-15(2,10-17)9-16(3)14(18)12-8-19-13-7-5-4-6-11(12)13/h4-8,17H,9-10H2,1-3H3
InChIKeyIZVFIPXGZCVPKE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.99
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide (PubChem CID 122151930) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
PubChem CID122151930
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCN(CC(C)(C)CO)C(=O)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-15(2,10-17)9-16(3)14(18)12-8-19-13-7-5-4-6-11(12)13/h4-8,17H,9-10H2,1-3H3
InChIKeyIZVFIPXGZCVPKE-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide (CID 122151930) is N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide is CN(CC(C)(C)CO)C(=O)c1csc2ccccc12.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is IZVFIPXGZCVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(2,10-17)9-16(3)14(18)12-8-19-13-7-5-4-6-11(12)13/h4-8,17H,9-10H2,1-3H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 122151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).