(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H17BrN2OS — CID 61163193

IUPAC(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H17BrN2OS/c1-19(9-14-7-13(17)10-21-14)16(20)15-6-11-4-2-3-5-12(11)8-18-15/h2-5,7,10,15,18H,6,8-9H2,1H3/t15-/m1/s1
InChIKeyHRSTVFDGSRWWGH-OAHLLOKOSA-N
MW365.30 g/mol
LogP3.18
Rot. Bonds3

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

(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61163193) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61163193
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC Name(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H17BrN2OS/c1-19(9-14-7-13(17)10-21-14)16(20)15-6-11-4-2-3-5-12(11)8-18-15/h2-5,7,10,15,18H,6,8-9H2,1H3/t15-/m1/s1
InChIKeyHRSTVFDGSRWWGH-OAHLLOKOSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
(3R)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154242
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3R)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64517291
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119273755
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43579071
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61163193) is (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(Cc1cc(Br)cs1)C(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HRSTVFDGSRWWGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-19(9-14-7-13(17)10-21-14)16(20)15-6-11-4-2-3-5-12(11)8-18-15/h2-5,7,10,15,18H,6,8-9H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61163193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).