N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H26N2O4S — CID 71810499

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C
InChIInChI=1S/C17H26N2O4S/c1-13-6-4-5-7-15(13)16(23-2)12-18-17(20)14-8-10-19(11-9-14)24(3,21)22/h4-7,14,16H,8-12H2,1-3H3,(H,18,20)
InChIKeyRYOIESMPFRXSRK-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.47
Rot. Bonds6

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71810499) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71810499
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C
InChIInChI=1S/C17H26N2O4S/c1-13-6-4-5-7-15(13)16(23-2)12-18-17(20)14-8-10-19(11-9-14)24(3,21)22/h4-7,14,16H,8-12H2,1-3H3,(H,18,20)
InChIKeyRYOIESMPFRXSRK-UHFFFAOYSA-N
XLogP1.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide 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

2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 45826621
N-[[1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45828781
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 50961802
N-(2-(2-fluorophenyl)-2-methoxypropyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71810637
N-(2-methoxy-2-(o-tolyl)ethyl)cyclohex-3-enecarboxamide
CID 71810507
N-(2-(2-chlorophenyl)-2-methoxyethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 76149830
N-[(3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-2-(N-methylmethanesulfonamido)acetamide
CID 91626518
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91631305
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-mesyl-4-piperidinecarboxamide
CID 95379448
N-[(R)-2-(2-hydroxyethoxy)-2-(p-tolyl)ethyl]-1-mesyl-4-piperidinecarboxamide
CID 97548838
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(phenylsulfonyl)propionamide
CID 97553626
4-[2-(4-Fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 56865455

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71810499) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is COC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is RYOIESMPFRXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-6-4-5-7-15(13)16(23-2)12-18-17(20)14-8-10-19(11-9-14)24(3,21)22/h4-7,14,16H,8-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71810499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).