N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H22N2OS — CID 119330940

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1ccc(CC(C)NC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C18H22N2OS/c1-12(9-16-8-7-13(2)22-16)20-18(21)17-10-14-5-3-4-6-15(14)11-19-17/h3-8,12,17,19H,9-11H2,1-2H3,(H,20,21)
InChIKeyCMGYOBFAMDUACP-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.82
Rot. Bonds4

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

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119330940) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119330940
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1ccc(CC(C)NC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C18H22N2OS/c1-12(9-16-8-7-13(2)22-16)20-18(21)17-10-14-5-3-4-6-15(14)11-19-17/h3-8,12,17,19H,9-11H2,1-2H3,(H,20,21)
InChIKeyCMGYOBFAMDUACP-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77044947
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82945792
N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119796716
(3S)-N-(1-methylsulfinylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896892
N-octan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43711414
(3S)-N-(1-ethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896414
4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
CID 114429111
N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43703397

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119330940) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1ccc(CC(C)NC(=O)C2Cc3ccccc3CN2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is CMGYOBFAMDUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12(9-16-8-7-13(2)22-16)20-18(21)17-10-14-5-3-4-6-15(14)11-19-17/h3-8,12,17,19H,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119330940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).