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

C20H19N3O5S — CID 3241964

IUPACN-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C20H19N3O5S/c1-12-19(14(3)28-22-12)29(26,27)23-17-9-7-15(8-10-17)20(25)21-18-6-4-5-16(11-18)13(2)24/h4-11,23H,1-3H3,(H,21,25)
InChIKeyBNCLBEVTLPKOFN-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.55
Rot. Bonds6

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

N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide (PubChem CID 3241964) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
PubChem CID3241964
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
InChIInChI=1S/C20H19N3O5S/c1-12-19(14(3)28-22-12)29(26,27)23-17-9-7-15(8-10-17)20(25)21-18-6-4-5-16(11-18)13(2)24/h4-11,23H,1-3H3,(H,21,25)
InChIKeyBNCLBEVTLPKOFN-UHFFFAOYSA-N
XLogP3.55
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide (CID 3241964) is N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide is CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The InChIKey is BNCLBEVTLPKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-12-19(14(3)28-22-12)29(26,27)23-17-9-7-15(8-10-17)20(25)21-18-6-4-5-16(11-18)13(2)24/h4-11,23H,1-3H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide has a molecular weight of 413.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 3241964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).