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

C20H21N3O4S — CID 109060838

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C20H21N3O4S/c1-3-23(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(10-12-18)20(24)21-19-13-15(2)27-22-19/h4-13H,3,14H2,1-2H3,(H,21,22,24)
InChIKeyXVLHGBWRORJAHM-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.45
Rot. Bonds7

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

4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 109060838) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID109060838
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C20H21N3O4S/c1-3-23(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(10-12-18)20(24)21-19-13-15(2)27-22-19/h4-13H,3,14H2,1-2H3,(H,21,22,24)
InChIKeyXVLHGBWRORJAHM-UHFFFAOYSA-N
XLogP3.45
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 18558936
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2128925
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 3545513
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109064674
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 42110600
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
CID 109061114
2-[5-(dibenzylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2526591
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049803
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 109060838) is 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is XVLHGBWRORJAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-3-23(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(10-12-18)20(24)21-19-13-15(2)27-22-19/h4-13H,3,14H2,1-2H3,(H,21,22,24).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 109060838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).