5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide

C20H21N3O4S — CID 86980193

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H21N3O4S/c1-3-23-28(25,26)16-10-9-14(2)17(11-16)20(24)22-13-19-21-12-18(27-19)15-7-5-4-6-8-15/h4-12,23H,3,13H2,1-2H3,(H,22,24)
InChIKeyVMAFXHOLQPHPHN-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.88
Rot. Bonds7

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

5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 86980193) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID86980193
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H21N3O4S/c1-3-23-28(25,26)16-10-9-14(2)17(11-16)20(24)22-13-19-21-12-18(27-19)15-7-5-4-6-8-15/h4-12,23H,3,13H2,1-2H3,(H,22,24)
InChIKeyVMAFXHOLQPHPHN-UHFFFAOYSA-N
XLogP2.88
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87043542
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
3-acetamido-4-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86991406
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 37485846
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
CID 71889400
5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide (CID 86980193) is 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is VMAFXHOLQPHPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-3-23-28(25,26)16-10-9-14(2)17(11-16)20(24)22-13-19-21-12-18(27-19)15-7-5-4-6-8-15/h4-12,23H,3,13H2,1-2H3,(H,22,24).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide?
5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86980193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).