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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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2344800
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CID 1310191
N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)cyclohexanecarboxamide
CID 1181036
(2E)-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide
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N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
CID 739602
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489
3-{[(3-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}phenyl)sulfonyl]amino}benzoic acid
CID 992296
5-(Tert-butyl)-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2813928
N-(5-Methyl-isoxazol-3-yl)-3-p-tolylsulfamoyl-benzamide
CID 1253133
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 4431371
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7189756
4-(3-(5-tert-butylisoxazol-3-yl)ureido)-N-phenylbenzamide
CID 46883422

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).