N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide

C18H18N2O2S — CID 97152757

IUPACN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
SMILESCOC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2sccc2c1
InChIInChI=1S/C18H18N2O2S/c1-20(16(12-22-2)15-5-3-4-9-19-15)18(21)14-6-7-17-13(11-14)8-10-23-17/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKeyPPAPARAEIDDMAI-INIZCTEOSA-N
MW326.42 g/mol
LogP3.76
Rot. Bonds5

About N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide (PubChem CID 97152757) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
PubChem CID97152757
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
SMILESCOC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2sccc2c1
InChIInChI=1S/C18H18N2O2S/c1-20(16(12-22-2)15-5-3-4-9-19-15)18(21)14-6-7-17-13(11-14)8-10-23-17/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKeyPPAPARAEIDDMAI-INIZCTEOSA-N
XLogP3.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125159408
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 97132449
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 99952767
4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide
CID 172662620

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide (CID 97152757) is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide is COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2sccc2c1.
What is the InChIKey of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide?
The InChIKey is PPAPARAEIDDMAI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-20(16(12-22-2)15-5-3-4-9-19-15)18(21)14-6-7-17-13(11-14)8-10-23-17/h3-11,16H,12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide?
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 97152757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).