N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide

C18H16N2O2S — CID 171345348

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1csc(-c2cccnc2)c1
InChIInChI=1S/C18H16N2O2S/c21-11-16(13-5-2-1-3-6-13)20-18(22)15-9-17(23-12-15)14-7-4-8-19-10-14/h1-10,12,16,21H,11H2,(H,20,22)/t16-/m0/s1
InChIKeyPPAUMBBKNQXUME-INIZCTEOSA-N
MW324.41 g/mol
LogP3.27
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide (PubChem CID 171345348) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide
PubChem CID171345348
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1csc(-c2cccnc2)c1
InChIInChI=1S/C18H16N2O2S/c21-11-16(13-5-2-1-3-6-13)20-18(22)15-9-17(23-12-15)14-7-4-8-19-10-14/h1-10,12,16,21H,11H2,(H,20,22)/t16-/m0/s1
InChIKeyPPAUMBBKNQXUME-INIZCTEOSA-N
XLogP3.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide (CID 171345348) is N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1csc(-c2cccnc2)c1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide?
The InChIKey is PPAUMBBKNQXUME-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-11-16(13-5-2-1-3-6-13)20-18(22)15-9-17(23-12-15)14-7-4-8-19-10-14/h1-10,12,16,21H,11H2,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 171345348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).