N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide

C19H26N2O5S — CID 20927548

IUPACN-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)ccc21
InChIInChI=1S/C19H26N2O5S/c1-21-16-10-9-15(13-17(16)26-19(21)23)27(24,25)12-11-18(22)20-14-7-5-3-2-4-6-8-14/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,22)
InChIKeyKHBGIZZQPCOPCN-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.52
Rot. Bonds5

About N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide

N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide (PubChem CID 20927548) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
PubChem CID20927548
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC NameN-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)ccc21
InChIInChI=1S/C19H26N2O5S/c1-21-16-10-9-15(13-17(16)26-19(21)23)27(24,25)12-11-18(22)20-14-7-5-3-2-4-6-8-14/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,22)
InChIKeyKHBGIZZQPCOPCN-UHFFFAOYSA-N
XLogP2.52
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883
N-cyclooctyl-2-(2-oxo-6-sulfamoyl-1,3-benzoxazol-3-yl)acetamide
CID 36995103
6-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92886971
methyl 4-[3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanoylamino]benzoate
CID 20927598
N-(4-bromo-3-methylphenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927576
N-(3-chloro-4-methylphenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927565
N-(2,5-diethoxyphenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927594
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
CID 110775565

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide?
The IUPAC name of N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide (CID 20927548) is N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide.
What is the SMILES notation for N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide?
The canonical SMILES for N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide is Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)ccc21.
What is the InChIKey of N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide?
The InChIKey is KHBGIZZQPCOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-21-16-10-9-15(13-17(16)26-19(21)23)27(24,25)12-11-18(22)20-14-7-5-3-2-4-6-8-14/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,22).
What are the key properties of N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide?
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide has a molecular weight of 394.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide is sourced from PubChem (CID 20927548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).