N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H26N2O5S — CID 113003254

IUPACN-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2C)CC1
InChIInChI=1S/C17H26N2O5S/c1-13-12-15(24-3)4-5-16(13)25(21,22)19-9-6-14(7-10-19)17(20)18-8-11-23-2/h4-5,12,14H,6-11H2,1-3H3,(H,18,20)
InChIKeyRCPMHNHRZWSLKO-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.17
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113003254) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113003254
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2C)CC1
InChIInChI=1S/C17H26N2O5S/c1-13-12-15(24-3)4-5-16(13)25(21,22)19-9-6-14(7-10-19)17(20)18-8-11-23-2/h4-5,12,14H,6-11H2,1-3H3,(H,18,20)
InChIKeyRCPMHNHRZWSLKO-UHFFFAOYSA-N
XLogP1.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002717
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
N-(2-methoxyethyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288681
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(3,4-dimethylphenyl)sulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 24542864
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 6492332
N-(3-cyclohexyloxypropyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55408291
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55385209
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 6499036

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 113003254) is N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide is COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RCPMHNHRZWSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-13-12-15(24-3)4-5-16(13)25(21,22)19-9-6-14(7-10-19)17(20)18-8-11-23-2/h4-5,12,14H,6-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113003254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).