N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H29N3O6S — CID 20876154

IUPACN-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)NC1CCCCCCC1
InChIInChI=1S/C21H29N3O6S/c25-20(22-16-6-4-2-1-3-5-7-16)15-24-18-9-8-17(14-19(18)30-21(24)26)31(27,28)23-10-12-29-13-11-23/h8-9,14,16H,1-7,10-13,15H2,(H,22,25)
InChIKeyXJNAIYMHFWIDRX-UHFFFAOYSA-N
MW451.55 g/mol
LogP1.84
Rot. Bonds5

About N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 20876154) has the molecular formula C21H29N3O6S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID20876154
Molecular FormulaC21H29N3O6S
Molecular Weight451.55 g/mol
Exact Mass451.18
IUPAC NameN-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)NC1CCCCCCC1
InChIInChI=1S/C21H29N3O6S/c25-20(22-16-6-4-2-1-3-5-7-16)15-24-18-9-8-17(14-19(18)30-21(24)26)31(27,28)23-10-12-29-13-11-23/h8-9,14,16H,1-7,10-13,15H2,(H,22,25)
InChIKeyXJNAIYMHFWIDRX-UHFFFAOYSA-N
XLogP1.84
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
N,N-dimethyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19259985
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5307802
N-(oxolan-2-ylmethyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126457292
2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20876158
N-(4-methoxyphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19260112
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20879530
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
CID 53080581

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 20876154) is N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is XJNAIYMHFWIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S/c25-20(22-16-6-4-2-1-3-5-7-16)15-24-18-9-8-17(14-19(18)30-21(24)26)31(27,28)23-10-12-29-13-11-23/h8-9,14,16H,1-7,10-13,15H2,(H,22,25).
What are the key properties of N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 451.55 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 20876154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).