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

C18H17N3O4S — CID 1300581

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-12-3-9-16(10-4-12)26(23,24)21-15-7-5-14(6-8-15)18(22)19-17-11-13(2)25-20-17/h3-11,21H,1-2H3,(H,19,20,22)
InChIKeyNPAUELDNSYIBKW-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.34
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 1300581) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID1300581
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-12-3-9-16(10-4-12)26(23,24)21-15-7-5-14(6-8-15)18(22)19-17-11-13(2)25-20-17/h3-11,21H,1-2H3,(H,19,20,22)
InChIKeyNPAUELDNSYIBKW-UHFFFAOYSA-N
XLogP3.34
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 1300581) is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is NPAUELDNSYIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-3-9-16(10-4-12)26(23,24)21-15-7-5-14(6-8-15)18(22)19-17-11-13(2)25-20-17/h3-11,21H,1-2H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 371.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1300581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).