2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide

C18H19N3O5S — CID 19260047

IUPAC2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C18H19N3O5S/c1-12-5-4-6-13(9-12)19-17(22)11-21-15-8-7-14(27(24,25)20(2)3)10-16(15)26-18(21)23/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyWEPDBTRGDVPVRE-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.79
Rot. Bonds5

About 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide

2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide (PubChem CID 19260047) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
PubChem CID19260047
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C18H19N3O5S/c1-12-5-4-6-13(9-12)19-17(22)11-21-15-8-7-14(27(24,25)20(2)3)10-16(15)26-18(21)23/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyWEPDBTRGDVPVRE-UHFFFAOYSA-N
XLogP1.79
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 16582070
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
CID 19260057
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 19260066
2-[6-(benzylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20879581
N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363066
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-fluorophenyl)acetamide
CID 23603552
N-(3-ethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868490
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methylindol-1-yl)acetamide
CID 26689900
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363165

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide (CID 19260047) is 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)c1.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is WEPDBTRGDVPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-5-4-6-13(9-12)19-17(22)11-21-15-8-7-14(27(24,25)20(2)3)10-16(15)26-18(21)23/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide?
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 19260047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).