(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H20N2O2S — CID 56861758

IUPAC(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C([C@H]1Cc2ccccc2CN1)N(CCO)Cc1cccs1
InChIInChI=1S/C17H20N2O2S/c20-8-7-19(12-15-6-3-9-22-15)17(21)16-10-13-4-1-2-5-14(13)11-18-16/h1-6,9,16,18,20H,7-8,10-12H2/t16-/m1/s1
InChIKeyLZMOWHFHFPPKIE-MRXNPFEDSA-N
MW316.43 g/mol
LogP1.78
Rot. Bonds5

About (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 56861758) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID56861758
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C([C@H]1Cc2ccccc2CN1)N(CCO)Cc1cccs1
InChIInChI=1S/C17H20N2O2S/c20-8-7-19(12-15-6-3-9-22-15)17(21)16-10-13-4-1-2-5-14(13)11-18-16/h1-6,9,16,18,20H,7-8,10-12H2/t16-/m1/s1
InChIKeyLZMOWHFHFPPKIE-MRXNPFEDSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-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
(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896871
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
(3S)-N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896287
N-methyl-N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 60964201
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 95203771
(3R)-N-(2-amino-2-oxoethyl)-N-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163753
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43588804
(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163193
(3R)-N-ethyl-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61164515

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 56861758) is (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C([C@H]1Cc2ccccc2CN1)N(CCO)Cc1cccs1.
What is the InChIKey of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is LZMOWHFHFPPKIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-8-7-19(12-15-6-3-9-22-15)17(21)16-10-13-4-1-2-5-14(13)11-18-16/h1-6,9,16,18,20H,7-8,10-12H2/t16-/m1/s1.
What are the key properties of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 56861758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).