4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide

C19H19N3O5S — CID 3243715

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-18(13(2)27-21-12)28(24,25)22-15-10-8-14(9-11-15)19(23)20-16-6-4-5-7-17(16)26-3/h4-11,22H,1-3H3,(H,20,23)
InChIKeyJTBAHNDAFJOEFM-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.35
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 3243715) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID3243715
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-18(13(2)27-21-12)28(24,25)22-15-10-8-14(9-11-15)19(23)20-16-6-4-5-7-17(16)26-3/h4-11,22H,1-3H3,(H,20,23)
InChIKeyJTBAHNDAFJOEFM-UHFFFAOYSA-N
XLogP3.35
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide (CID 3243715) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is JTBAHNDAFJOEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-18(13(2)27-21-12)28(24,25)22-15-10-8-14(9-11-15)19(23)20-16-6-4-5-7-17(16)26-3/h4-11,22H,1-3H3,(H,20,23).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 401.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 3243715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).