(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H18N2O2S — CID 94020848

IUPAC(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1
InChIInChI=1S/C17H18N2O2S/c1-11-5-6-12-9-15(22-14(12)8-11)16(20)19-10-13-4-3-7-18-17(13)21-2/h3-8,15H,9-10H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyFKEYDVXUSDTQIX-OAHLLOKOSA-N
MW314.41 g/mol
LogP2.73
Rot. Bonds4

About (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 94020848) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID94020848
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1
InChIInChI=1S/C17H18N2O2S/c1-11-5-6-12-9-15(22-14(12)8-11)16(20)19-10-13-4-3-7-18-17(13)21-2/h3-8,15H,9-10H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyFKEYDVXUSDTQIX-OAHLLOKOSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51935063
(2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42209477
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 47023701
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 46585283
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47160065
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 38535025
(2R)-N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 126452903

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 94020848) is (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is COc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1.
What is the InChIKey of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is FKEYDVXUSDTQIX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-5-6-12-9-15(22-14(12)8-11)16(20)19-10-13-4-3-7-18-17(13)21-2/h3-8,15H,9-10H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 94020848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).