N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide

C17H26N2O4S — CID 113007617

IUPACN-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H26N2O4S/c1-4-11-24(21,22)19-9-7-14(8-10-19)17(20)18-15-12-13(2)5-6-16(15)23-3/h5-6,12,14H,4,7-11H2,1-3H3,(H,18,20)
InChIKeyBPEODKIMUSJFBK-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.39
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 113007617) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID113007617
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H26N2O4S/c1-4-11-24(21,22)19-9-7-14(8-10-19)17(20)18-15-12-13(2)5-6-16(15)23-3/h5-6,12,14H,4,7-11H2,1-3H3,(H,18,20)
InChIKeyBPEODKIMUSJFBK-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-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

N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335470
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53106245

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 113007617) is N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2OC)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is BPEODKIMUSJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-11-24(21,22)19-9-7-14(8-10-19)17(20)18-15-12-13(2)5-6-16(15)23-3/h5-6,12,14H,4,7-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113007617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).