N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide

C23H20N4O4S — CID 50844100

IUPACN-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)CSc4ccncc4)cc3)o2)cc1
InChIInChI=1S/C23H20N4O4S/c1-29-18-6-2-16(3-7-18)23-27-26-22(31-23)14-30-19-8-4-17(5-9-19)25-21(28)15-32-20-10-12-24-13-11-20/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyMORPTSMMRCPTQW-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.45
Rot. Bonds9

About N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide

N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 50844100) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID50844100
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC NameN-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)CSc4ccncc4)cc3)o2)cc1
InChIInChI=1S/C23H20N4O4S/c1-29-18-6-2-16(3-7-18)23-27-26-22(31-23)14-30-19-8-4-17(5-9-19)25-21(28)15-32-20-10-12-24-13-11-20/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyMORPTSMMRCPTQW-UHFFFAOYSA-N
XLogP4.45
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide with MolForge

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Related Compounds

N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522435
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8708507
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
N-[3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propanamide
CID 155812824
3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50843876
2-chloro-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 50844203
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
N-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2701910
(E)-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 50843852
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-3-ylacetamide
CID 40694759
N-(3-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92645281

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 50844100) is N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide is COc1ccc(-c2nnc(COc3ccc(NC(=O)CSc4ccncc4)cc3)o2)cc1.
What is the InChIKey of N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is MORPTSMMRCPTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-29-18-6-2-16(3-7-18)23-27-26-22(31-23)14-30-19-8-4-17(5-9-19)25-21(28)15-32-20-10-12-24-13-11-20/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 448.50 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 50844100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).