N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C15H22N2O4S — CID 2991696

IUPACN-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-9-5-4-8-13(14)16-15(18)12-7-6-10-17(11-12)22(2,19)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyICGXRKRCUHAHPI-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.70
Rot. Bonds5

About N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2991696) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2991696
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-9-5-4-8-13(14)16-15(18)12-7-6-10-17(11-12)22(2,19)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyICGXRKRCUHAHPI-UHFFFAOYSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-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

N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
1-(2-Ethoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 6459126
2-oxo-N-[4-(propan-2-yloxy)phenyl]piperidine-3-carboxamide
CID 652798
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(4-ethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 229285
1-(Butyl sulfonyl)-N-(4-isopropoxyphenyl)piperidine-3-carboxamide
CID 45482503
N-(3-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2986825
Piperidine-1,3-dicarboxylic acid 1-benzylamide 3-[(2-ethoxy-phenyl)-amide]
CID 647112
N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893996
N-cyclohexyl-2-[2-ethoxy(methylsulfonyl)anilino]acetamide
CID 1354379
3-(2,6-Dimethyl-morpholin-4-yl)-N-(2-methoxy-phenyl)-propionamide
CID 2902597

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2991696) is N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ICGXRKRCUHAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-14-9-5-4-8-13(14)16-15(18)12-7-6-10-17(11-12)22(2,19)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).