N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide

C20H21N5O7S — CID 176511359

IUPACN-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCCc1nc(Nc2cc3onc(NS(=O)(=O)c4c(OC)cccc4OC)c3cc2OC)no1
InChIInChI=1S/C20H21N5O7S/c1-5-17-22-20(24-32-17)21-12-10-15-11(9-16(12)30-4)19(23-31-15)25-33(26,27)18-13(28-2)7-6-8-14(18)29-3/h6-10H,5H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyYPEYCEISEGWNHO-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.34
Rot. Bonds9

About N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide

N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide (PubChem CID 176511359) has the molecular formula C20H21N5O7S and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
PubChem CID176511359
Molecular FormulaC20H21N5O7S
Molecular Weight475.48 g/mol
Exact Mass475.12
IUPAC NameN-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCCc1nc(Nc2cc3onc(NS(=O)(=O)c4c(OC)cccc4OC)c3cc2OC)no1
InChIInChI=1S/C20H21N5O7S/c1-5-17-22-20(24-32-17)21-12-10-15-11(9-16(12)30-4)19(23-31-15)25-33(26,27)18-13(28-2)7-6-8-14(18)29-3/h6-10H,5H2,1-4H3,(H,21,24)(H,23,25)
InChIKeyYPEYCEISEGWNHO-UHFFFAOYSA-N
XLogP3.34
TPSA150.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide?
The IUPAC name of N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide (CID 176511359) is N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide is CCc1nc(Nc2cc3onc(NS(=O)(=O)c4c(OC)cccc4OC)c3cc2OC)no1.
What is the InChIKey of N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide?
The InChIKey is YPEYCEISEGWNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O7S/c1-5-17-22-20(24-32-17)21-12-10-15-11(9-16(12)30-4)19(23-31-15)25-33(26,27)18-13(28-2)7-6-8-14(18)29-3/h6-10H,5H2,1-4H3,(H,21,24)(H,23,25).
What are the key properties of N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide?
N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide has a molecular weight of 475.48 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-ethyl-1,2,4-oxadiazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide is sourced from PubChem (CID 176511359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).