2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H19N3O5S — CID 2090852

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C19H19N3O5S/c1-14-12-18(21-27-14)20-19(23)13-26-16-10-8-15(9-11-16)22(2)28(24,25)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyMYNSRGFNGNPGSQ-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.83
Rot. Bonds7

About 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2090852) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2090852
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C19H19N3O5S/c1-14-12-18(21-27-14)20-19(23)13-26-16-10-8-15(9-11-16)22(2)28(24,25)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeyMYNSRGFNGNPGSQ-UHFFFAOYSA-N
XLogP2.83
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2090852) is 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is MYNSRGFNGNPGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-14-12-18(21-27-14)20-19(23)13-26-16-10-8-15(9-11-16)22(2)28(24,25)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2090852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).