N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide

C17H26N2O3S — CID 41467295

IUPACN-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-13-10-11-14(12-16(13)19-23(2,21)22)17(20)18-15-8-6-4-3-5-7-9-15/h10-12,15,19H,3-9H2,1-2H3,(H,18,20)
InChIKeyDIPULUIAWUTWQH-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.21
Rot. Bonds4

About N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide

N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 41467295) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID41467295
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-13-10-11-14(12-16(13)19-23(2,21)22)17(20)18-15-8-6-4-3-5-7-9-15/h10-12,15,19H,3-9H2,1-2H3,(H,18,20)
InChIKeyDIPULUIAWUTWQH-UHFFFAOYSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
CID 68792799
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide (CID 41467295) is N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCCCC2)cc1NS(C)(=O)=O.
What is the InChIKey of N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is DIPULUIAWUTWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-10-11-14(12-16(13)19-23(2,21)22)17(20)18-15-8-6-4-3-5-7-9-15/h10-12,15,19H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide?
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 338.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 41467295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).