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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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).