N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H15ClN2OS — CID 65262263

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)C1CNCc2ccccc21
InChIInChI=1S/C15H15ClN2OS/c16-14-6-5-11(20-14)8-18-15(19)13-9-17-7-10-3-1-2-4-12(10)13/h1-6,13,17H,7-9H2,(H,18,19)
InChIKeyPYHYIRMJENIJBA-UHFFFAOYSA-N
MW306.82 g/mol
LogP2.90
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262263) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262263
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)C1CNCc2ccccc21
InChIInChI=1S/C15H15ClN2OS/c16-14-6-5-11(20-14)8-18-15(19)13-9-17-7-10-3-1-2-4-12(10)13/h1-6,13,17H,7-9H2,(H,18,19)
InChIKeyPYHYIRMJENIJBA-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106381202
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260981
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79231898
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106148133

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262263) is N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NCc1ccc(Cl)s1)C1CNCc2ccccc21.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is PYHYIRMJENIJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-14-6-5-11(20-14)8-18-15(19)13-9-17-7-10-3-1-2-4-12(10)13/h1-6,13,17H,7-9H2,(H,18,19).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).