N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C16H17BrN2OS — CID 105055798

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H17BrN2OS/c17-15-4-3-14(21-15)6-8-19-16(20)12-2-1-11-5-7-18-10-13(11)9-12/h1-4,9,18H,5-8,10H2,(H,19,20)
InChIKeyWOGKFAROEYBJRX-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 105055798) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID105055798
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C16H17BrN2OS/c17-15-4-3-14(21-15)6-8-19-16(20)12-2-1-11-5-7-18-10-13(11)9-12/h1-4,9,18H,5-8,10H2,(H,19,20)
InChIKeyWOGKFAROEYBJRX-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106105105
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 79015224
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 105055798) is N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(NCCc1ccc(Br)s1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is WOGKFAROEYBJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c17-15-4-3-14(21-15)6-8-19-16(20)12-2-1-11-5-7-18-10-13(11)9-12/h1-4,9,18H,5-8,10H2,(H,19,20).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 105055798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).