2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

C20H32N3O3S+ — CID 7745887

IUPAC2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-27(25,26)22-18-11-5-4-10-17(18)19(24)21-16-20(12-6-2-7-13-20)23-14-8-3-9-15-23/h4-5,10-11,22H,2-3,6-9,12-16H2,1H3,(H,21,24)/p+1
InChIKeyCKIJTIGZZMGGOD-UHFFFAOYSA-O
MW394.56 g/mol
LogP1.56
Rot. Bonds6

About 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (PubChem CID 7745887) has the molecular formula C20H32N3O3S+ and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
PubChem CID7745887
Molecular FormulaC20H32N3O3S+
Molecular Weight394.56 g/mol
Exact Mass394.22
IUPAC Name2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-27(25,26)22-18-11-5-4-10-17(18)19(24)21-16-20(12-6-2-7-13-20)23-14-8-3-9-15-23/h4-5,10-11,22H,2-3,6-9,12-16H2,1H3,(H,21,24)/p+1
InChIKeyCKIJTIGZZMGGOD-UHFFFAOYSA-O
XLogP1.56
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 8001355
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
2-(methanesulfonamido)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39584251
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
CID 2481504
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935171
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119996445
N-[2-(cyclohexanecarbonyl)phenyl]methanesulfonamide
CID 14771346
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
CID 105419225
4-(1,3-dithiolan-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7831623
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (CID 7745887) is 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1.
What is the InChIKey of 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is CKIJTIGZZMGGOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H31N3O3S/c1-27(25,26)22-18-11-5-4-10-17(18)19(24)21-16-20(12-6-2-7-13-20)23-14-8-3-9-15-23/h4-5,10-11,22H,2-3,6-9,12-16H2,1H3,(H,21,24)/p+1.
What are the key properties of 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 394.56 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 7745887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).