N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide

C19H22N2OS — CID 18577834

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide
SMILESO=C(NCC(c1cccs1)N1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C19H22N2OS/c22-19(15-7-8-15)20-12-17(18-6-3-11-23-18)21-10-9-14-4-1-2-5-16(14)13-21/h1-6,11,15,17H,7-10,12-13H2,(H,20,22)
InChIKeyGHHQQJRJPCLYSD-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide (PubChem CID 18577834) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide
PubChem CID18577834
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide
SMILESO=C(NCC(c1cccs1)N1CCc2ccccc2C1)C1CC1
InChIInChI=1S/C19H22N2OS/c22-19(15-7-8-15)20-12-17(18-6-3-11-23-18)21-10-9-14-4-1-2-5-16(14)13-21/h1-6,11,15,17H,7-10,12-13H2,(H,20,22)
InChIKeyGHHQQJRJPCLYSD-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide (CID 18577834) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide is O=C(NCC(c1cccs1)N1CCc2ccccc2C1)C1CC1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
The InChIKey is GHHQQJRJPCLYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(15-7-8-15)20-12-17(18-6-3-11-23-18)21-10-9-14-4-1-2-5-16(14)13-21/h1-6,11,15,17H,7-10,12-13H2,(H,20,22).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide has a molecular weight of 326.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 18577834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).