2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate

C15H17N2O6S- — CID 3590656

IUPAC2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESO=C([O-])Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C15H18N2O6S/c18-14(19)9-17-12-7-6-11(8-13(12)23-15(17)20)24(21,22)16-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,18,19)/p-1
InChIKeyUHOLJIFABIYJGP-UHFFFAOYSA-M
MW353.38 g/mol
LogP-0.04
Rot. Bonds5

About 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate

2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 3590656) has the molecular formula C15H17N2O6S- and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Name2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID3590656
Molecular FormulaC15H17N2O6S-
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESO=C([O-])Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C15H18N2O6S/c18-14(19)9-17-12-7-6-11(8-13(12)23-15(17)20)24(21,22)16-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,18,19)/p-1
InChIKeyUHOLJIFABIYJGP-UHFFFAOYSA-M
XLogP-0.04
TPSA121.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20879555
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 45106325
2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590658
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 3590656) is 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate is O=C([O-])Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21.
What is the InChIKey of 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is UHOLJIFABIYJGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O6S/c18-14(19)9-17-12-7-6-11(8-13(12)23-15(17)20)24(21,22)16-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2,(H,18,19)/p-1.
What are the key properties of 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate?
2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 353.38 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 3590656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).