N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C20H30N2O4S — CID 2334523

IUPACN-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O4S/c1-16-9-10-17(20(23)21-18-7-5-3-2-4-6-8-18)15-19(16)27(24,25)22-11-13-26-14-12-22/h9-10,15,18H,2-8,11-14H2,1H3,(H,21,23)
InChIKeyQWNQTUQKLNLBSR-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.86
Rot. Bonds4

About N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2334523) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2334523
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O4S/c1-16-9-10-17(20(23)21-18-7-5-3-2-4-6-8-18)15-19(16)27(24,25)22-11-13-26-14-12-22/h9-10,15,18H,2-8,11-14H2,1H3,(H,21,23)
InChIKeyQWNQTUQKLNLBSR-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 2334523) is N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QWNQTUQKLNLBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-16-9-10-17(20(23)21-18-7-5-3-2-4-6-8-18)15-19(16)27(24,25)22-11-13-26-14-12-22/h9-10,15,18H,2-8,11-14H2,1H3,(H,21,23).
What are the key properties of N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2334523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).