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

C20H30N2O4S — CID 60610211

IUPACN-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCCCCC1
InChIInChI=1S/C20H30N2O4S/c1-21(18-9-5-3-2-4-6-10-18)20(23)17-8-7-11-19(16-17)27(24,25)22-12-14-26-15-13-22/h7-8,11,16,18H,2-6,9-10,12-15H2,1H3
InChIKeyHAVPMMUBYDWZSY-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.89
Rot. Bonds4

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

N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60610211) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60610211
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCCCCC1
InChIInChI=1S/C20H30N2O4S/c1-21(18-9-5-3-2-4-6-10-18)20(23)17-8-7-11-19(16-17)27(24,25)22-12-14-26-15-13-22/h7-8,11,16,18H,2-6,9-10,12-15H2,1H3
InChIKeyHAVPMMUBYDWZSY-UHFFFAOYSA-N
XLogP2.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 60604552
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 60534827
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7260123
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 60610211) is N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HAVPMMUBYDWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-21(18-9-5-3-2-4-6-10-18)20(23)17-8-7-11-19(16-17)27(24,25)22-12-14-26-15-13-22/h7-8,11,16,18H,2-6,9-10,12-15H2,1H3.
What are the key properties of N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60610211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).