N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide

C18H16N2O3S — CID 111441717

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
SMILESO=C(NCC(O)c1ccsc1)c1ccccc1Oc1cccnc1
InChIInChI=1S/C18H16N2O3S/c21-16(13-7-9-24-12-13)11-20-18(22)15-5-1-2-6-17(15)23-14-4-3-8-19-10-14/h1-10,12,16,21H,11H2,(H,20,22)
InChIKeyLBSFVHVDOSUBBG-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.40
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide (PubChem CID 111441717) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
PubChem CID111441717
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
SMILESO=C(NCC(O)c1ccsc1)c1ccccc1Oc1cccnc1
InChIInChI=1S/C18H16N2O3S/c21-16(13-7-9-24-12-13)11-20-18(22)15-5-1-2-6-17(15)23-14-4-3-8-19-10-14/h1-10,12,16,21H,11H2,(H,20,22)
InChIKeyLBSFVHVDOSUBBG-UHFFFAOYSA-N
XLogP3.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
CID 86967156
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 97227850
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 97013879
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111441739

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide (CID 111441717) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide is O=C(NCC(O)c1ccsc1)c1ccccc1Oc1cccnc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide?
The InChIKey is LBSFVHVDOSUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-16(13-7-9-24-12-13)11-20-18(22)15-5-1-2-6-17(15)23-14-4-3-8-19-10-14/h1-10,12,16,21H,11H2,(H,20,22).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide has a molecular weight of 340.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide is sourced from PubChem (CID 111441717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).