N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide

C20H19N3O4S — CID 155563510

IUPACN-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2cncc(-c3ccc(NS(C)(=O)=O)cc3)c2)c1
InChIInChI=1S/C20H19N3O4S/c1-14(24)22-18-4-3-5-19(11-18)27-20-10-16(12-21-13-20)15-6-8-17(9-7-15)23-28(2,25)26/h3-13,23H,1-2H3,(H,22,24)
InChIKeyPUYRDZFEFLWIMV-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.87
Rot. Bonds6

About N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide

N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide (PubChem CID 155563510) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide
PubChem CID155563510
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2cncc(-c3ccc(NS(C)(=O)=O)cc3)c2)c1
InChIInChI=1S/C20H19N3O4S/c1-14(24)22-18-4-3-5-19(11-18)27-20-10-16(12-21-13-20)15-6-8-17(9-7-15)23-28(2,25)26/h3-13,23H,1-2H3,(H,22,24)
InChIKeyPUYRDZFEFLWIMV-UHFFFAOYSA-N
XLogP3.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide (CID 155563510) is N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(Oc2cncc(-c3ccc(NS(C)(=O)=O)cc3)c2)c1.
What is the InChIKey of N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is PUYRDZFEFLWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14(24)22-18-4-3-5-19(11-18)27-20-10-16(12-21-13-20)15-6-8-17(9-7-15)23-28(2,25)26/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide?
N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 155563510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).