1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

C15H22N2O4S — CID 2985818

IUPAC1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-7-6-13(9-11(14)2)22(19,20)17-8-4-5-12(10-17)15(16)18/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,16,18)
InChIKeySRAXDAVMTMZNLR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.28
Rot. Bonds5

About 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 2985818) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID2985818
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-7-6-13(9-11(14)2)22(19,20)17-8-4-5-12(10-17)15(16)18/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,16,18)
InChIKeySRAXDAVMTMZNLR-UHFFFAOYSA-N
XLogP1.28
TPSA89.70 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-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

[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7393870
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 28550467
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3162885
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133155297
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100796045
ethyl 4-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 41302627
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3162887
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
(3S)-1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 99967841
[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125049827

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 2985818) is 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is SRAXDAVMTMZNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-14-7-6-13(9-11(14)2)22(19,20)17-8-4-5-12(10-17)15(16)18/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,16,18).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2985818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).