N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide

C20H30N2O4S — CID 28590964

IUPACN-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H30N2O4S/c1-26-19-12-11-17(27(24,25)22-13-7-8-14-22)15-18(19)20(23)21-16-9-5-3-2-4-6-10-16/h11-12,15-16H,2-10,13-14H2,1H3,(H,21,23)
InChIKeyOXHHIUZUWKAKMG-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.32
Rot. Bonds5

About N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide

N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 28590964) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID28590964
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H30N2O4S/c1-26-19-12-11-17(27(24,25)22-13-7-8-14-22)15-18(19)20(23)21-16-9-5-3-2-4-6-10-16/h11-12,15-16H,2-10,13-14H2,1H3,(H,21,23)
InChIKeyOXHHIUZUWKAKMG-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450981
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 42901625
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 7448765
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide (CID 28590964) is N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is OXHHIUZUWKAKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-26-19-12-11-17(27(24,25)22-13-7-8-14-22)15-18(19)20(23)21-16-9-5-3-2-4-6-10-16/h11-12,15-16H,2-10,13-14H2,1H3,(H,21,23).
What are the key properties of N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 28590964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).