N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C19H18N2OS — CID 141117805

IUPACN-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)Nc1ccc2ccsc2c1
InChIInChI=1S/C19H18N2OS/c22-19(20-17-6-5-15-8-10-23-18(15)11-17)13-21-9-7-14-3-1-2-4-16(14)12-21/h1-6,8,10-11H,7,9,12-13H2,(H,20,22)
InChIKeySVYOUGMKBAVIHU-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.90
Rot. Bonds3

About N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 141117805) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID141117805
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)Nc1ccc2ccsc2c1
InChIInChI=1S/C19H18N2OS/c22-19(20-17-6-5-15-8-10-23-18(15)11-17)13-21-9-7-14-3-1-2-4-16(14)12-21/h1-6,8,10-11H,7,9,12-13H2,(H,20,22)
InChIKeySVYOUGMKBAVIHU-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 141117805) is N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)Nc1ccc2ccsc2c1.
What is the InChIKey of N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is SVYOUGMKBAVIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19(20-17-6-5-15-8-10-23-18(15)11-17)13-21-9-7-14-3-1-2-4-16(14)12-21/h1-6,8,10-11H,7,9,12-13H2,(H,20,22).
What are the key properties of N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-6-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 141117805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).