N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide

C23H24N2OS — CID 177335635

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C23H24N2OS/c26-23(22-12-11-21(27-22)19-8-2-1-3-9-19)24-14-6-15-25-16-13-18-7-4-5-10-20(18)17-25/h1-5,7-12H,6,13-17H2,(H,24,26)
InChIKeyHDRUKPNNMMHQHY-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.59
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide (PubChem CID 177335635) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide
PubChem CID177335635
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C23H24N2OS/c26-23(22-12-11-21(27-22)19-8-2-1-3-9-19)24-14-6-15-25-16-13-18-7-4-5-10-20(18)17-25/h1-5,7-12H,6,13-17H2,(H,24,26)
InChIKeyHDRUKPNNMMHQHY-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide (CID 177335635) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide is O=C(NCCCN1CCc2ccccc2C1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is HDRUKPNNMMHQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-23(22-12-11-21(27-22)19-8-2-1-3-9-19)24-14-6-15-25-16-13-18-7-4-5-10-20(18)17-25/h1-5,7-12H,6,13-17H2,(H,24,26).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 177335635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).