N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

C20H32N2O4S — CID 47735927

IUPACN-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
SMILESCCOC1CCCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-5-26-17-7-6-12-22(14-17)20(23)19(13-15(2)3)21-27(24,25)18-10-8-16(4)9-11-18/h8-11,15,17,19,21H,5-7,12-14H2,1-4H3
InChIKeyLDUIGAZYQMWWHD-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.72
Rot. Bonds8

About N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 47735927) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
PubChem CID47735927
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
SMILESCCOC1CCCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-5-26-17-7-6-12-22(14-17)20(23)19(13-15(2)3)21-27(24,25)18-10-8-16(4)9-11-18/h8-11,15,17,19,21H,5-7,12-14H2,1-4H3
InChIKeyLDUIGAZYQMWWHD-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 119490221
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
N,N-dimethyl-2-[4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642077
(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51960638
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 155168701
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
4-methyl-N-[1-[3-(methylamino)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 119490833
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 30768113
N-(3-cyclohexyloxypropyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46613224
ethyl (2S)-5-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 102210057

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide (CID 47735927) is N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide is CCOC1CCCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is LDUIGAZYQMWWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-5-26-17-7-6-12-22(14-17)20(23)19(13-15(2)3)21-27(24,25)18-10-8-16(4)9-11-18/h8-11,15,17,19,21H,5-7,12-14H2,1-4H3.
What are the key properties of N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 396.55 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 47735927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).