2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

C20H20N4O6S — CID 146328824

IUPAC2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCOc1cccc(OCc2cnn(C)c2)c1S(=O)(=O)Nc1noc2cccc(OC)c12
InChIInChI=1S/C20H20N4O6S/c1-24-11-13(10-21-24)12-29-17-9-5-8-16(28-3)19(17)31(25,26)23-20-18-14(27-2)6-4-7-15(18)30-22-20/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyGVPJDOAETMGSGP-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.96
Rot. Bonds8

About 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 146328824) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
PubChem CID146328824
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC Name2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCOc1cccc(OCc2cnn(C)c2)c1S(=O)(=O)Nc1noc2cccc(OC)c12
InChIInChI=1S/C20H20N4O6S/c1-24-11-13(10-21-24)12-29-17-9-5-8-16(28-3)19(17)31(25,26)23-20-18-14(27-2)6-4-7-15(18)30-22-20/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyGVPJDOAETMGSGP-UHFFFAOYSA-N
XLogP2.96
TPSA117.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-[[4-(hydroxymethyl)pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155411223
N-[6-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155654745
2,6-dimethoxy-N-[4-methoxy-6-[(5-methylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411206
N-[6-(3-bromo-5-hydroxyphenyl)-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 169078748
2,6-dimethoxy-N-[4-methoxy-6-(oxetan-3-ylamino)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 176511328
tert-butyl 1-[[3-[(2,6-dimethoxyphenyl)sulfonylamino]-4-methoxy-1,2-benzoxazol-6-yl]methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 169078831
2,6-dimethoxy-N-[4-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 169078780
2,6-dimethoxy-N-(4-methoxy-8-pyrazol-1-yl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazol-3-yl)benzenesulfonamide
CID 167432888
N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide
CID 146288934
N-[6-(azetidin-1-yl)-4-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 166133355
2,6-dimethoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
CID 166133319
2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 170148592

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (CID 146328824) is 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is COc1cccc(OCc2cnn(C)c2)c1S(=O)(=O)Nc1noc2cccc(OC)c12.
What is the InChIKey of 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is GVPJDOAETMGSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-24-11-13(10-21-24)12-29-17-9-5-8-16(28-3)19(17)31(25,26)23-20-18-14(27-2)6-4-7-15(18)30-22-20/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 444.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 146328824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).