N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H17N3O5S — CID 38972126

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C17H17N3O5S/c1-18-26(23,24)13-6-4-5-12(9-13)10-19-16(21)11-20-14-7-2-3-8-15(14)25-17(20)22/h2-9,18H,10-11H2,1H3,(H,19,21)
InChIKeyLELOLRZOHNIMJX-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.82
Rot. Bonds6

About N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 38972126) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID38972126
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C17H17N3O5S/c1-18-26(23,24)13-6-4-5-12(9-13)10-19-16(21)11-20-14-7-2-3-8-15(14)25-17(20)22/h2-9,18H,10-11H2,1H3,(H,19,21)
InChIKeyLELOLRZOHNIMJX-UHFFFAOYSA-N
XLogP0.82
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34641233
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47088605
N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 38972126) is N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CNS(=O)(=O)c1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is LELOLRZOHNIMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-18-26(23,24)13-6-4-5-12(9-13)10-19-16(21)11-20-14-7-2-3-8-15(14)25-17(20)22/h2-9,18H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 38972126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).