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

C13H15N3O4S — CID 48944724

IUPACN-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCc2cc(C)no2)cc1
InChIInChI=1S/C13H15N3O4S/c1-9-7-11(20-16-9)8-15-21(18,19)12-5-3-10(4-6-12)13(17)14-2/h3-7,15H,8H2,1-2H3,(H,14,17)
InChIKeyNXELENYEDRTGEZ-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.82
Rot. Bonds5

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

N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide (PubChem CID 48944724) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
PubChem CID48944724
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCc2cc(C)no2)cc1
InChIInChI=1S/C13H15N3O4S/c1-9-7-11(20-16-9)8-15-21(18,19)12-5-3-10(4-6-12)13(17)14-2/h3-7,15H,8H2,1-2H3,(H,14,17)
InChIKeyNXELENYEDRTGEZ-UHFFFAOYSA-N
XLogP0.82
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
CID 71789762
N-[[3-(benzamidocarbamoyl)-1,2-oxazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 162673686
5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614370
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 77088154
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 48731204
4-[[5-(4-fluorophenyl)furan-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 30784702
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64608033
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
CID 103836774
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide (CID 48944724) is N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)NCc2cc(C)no2)cc1.
What is the InChIKey of N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
The InChIKey is NXELENYEDRTGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-7-11(20-16-9)8-15-21(18,19)12-5-3-10(4-6-12)13(17)14-2/h3-7,15H,8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide has a molecular weight of 309.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide is sourced from PubChem (CID 48944724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).