N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide

C17H23N3O5S — CID 36995103

IUPACN-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC1CCCCCCC1
InChIInChI=1S/C17H23N3O5S/c18-26(23,24)13-8-9-14-15(10-13)25-17(22)20(14)11-16(21)19-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,19,21)(H2,18,23,24)
InChIKeyFHBWVCUIWHPHME-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.47
Rot. Bonds4

About N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide

N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide (PubChem CID 36995103) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
PubChem CID36995103
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC1CCCCCCC1
InChIInChI=1S/C17H23N3O5S/c18-26(23,24)13-8-9-14-15(10-13)25-17(22)20(14)11-16(21)19-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,19,21)(H2,18,23,24)
InChIKeyFHBWVCUIWHPHME-UHFFFAOYSA-N
XLogP1.47
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[6-(cyclohexylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590656
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
N-cyclopentyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 20879564
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927548
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
2-[6-(cyclopentylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20879555
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
N-cyclopentyl-2-[2-oxo-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 53006890

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide (CID 36995103) is N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide is NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is FHBWVCUIWHPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c18-26(23,24)13-8-9-14-15(10-13)25-17(22)20(14)11-16(21)19-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,11H2,(H,19,21)(H2,18,23,24).
What are the key properties of N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide?
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 381.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 36995103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).