N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide

C20H24N2O4S — CID 47029623

IUPACN-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-27(24,25)21-14-16-8-7-13-22(15-16)20(23)18-11-5-6-12-19(18)26-17-9-3-2-4-10-17/h2-6,9-12,16,21H,7-8,13-15H2,1H3
InChIKeyRUNGWBXYWZFIHD-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47029623) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47029623
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-27(24,25)21-14-16-8-7-13-22(15-16)20(23)18-11-5-6-12-19(18)26-17-9-3-2-4-10-17/h2-6,9-12,16,21H,7-8,13-15H2,1H3
InChIKeyRUNGWBXYWZFIHD-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90584913
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52808285
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide (CID 47029623) is N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RUNGWBXYWZFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-27(24,25)21-14-16-8-7-13-22(15-16)20(23)18-11-5-6-12-19(18)26-17-9-3-2-4-10-17/h2-6,9-12,16,21H,7-8,13-15H2,1H3.
What are the key properties of N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47029623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).