3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C17H17N3O5S — CID 38467012

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc(C)c1C
InChIInChI=1S/C17H17N3O5S/c1-9-6-11(7-15(10(9)2)26(23,24)18-3)16(21)19-12-4-5-14-13(8-12)20-17(22)25-14/h4-8,18H,1-3H3,(H,19,21)(H,20,22)
InChIKeyDAIAIGFCDNDOPH-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.90
Rot. Bonds4

About 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 38467012) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID38467012
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc(C)c1C
InChIInChI=1S/C17H17N3O5S/c1-9-6-11(7-15(10(9)2)26(23,24)18-3)16(21)19-12-4-5-14-13(8-12)20-17(22)25-14/h4-8,18H,1-3H3,(H,19,21)(H,20,22)
InChIKeyDAIAIGFCDNDOPH-UHFFFAOYSA-N
XLogP1.90
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37096181
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
CID 55551931
3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467305

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 38467012) is 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is DAIAIGFCDNDOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-9-6-11(7-15(10(9)2)26(23,24)18-3)16(21)19-12-4-5-14-13(8-12)20-17(22)25-14/h4-8,18H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 375.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 38467012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).