N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide

C16H24N2O5S — CID 90591979

IUPACN-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O5S/c1-22-12-9-17-16(19)18-10-7-15(8-11-18)24(20,21)14-5-3-13(23-2)4-6-14/h3-6,15H,7-12H2,1-2H3,(H,17,19)
InChIKeyWEWWONGXILUHDX-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.29
Rot. Bonds6

About N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide

N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 90591979) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID90591979
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O5S/c1-22-12-9-17-16(19)18-10-7-15(8-11-18)24(20,21)14-5-3-13(23-2)4-6-14/h3-6,15H,7-12H2,1-2H3,(H,17,19)
InChIKeyWEWWONGXILUHDX-UHFFFAOYSA-N
XLogP1.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.29
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

N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 119105569
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
4,4,4-trifluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591882
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
2,2,3,3,4,4,4-heptafluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591890
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 97417332

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide (CID 90591979) is N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide is COCCNC(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is WEWWONGXILUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-12-9-17-16(19)18-10-7-15(8-11-18)24(20,21)14-5-3-13(23-2)4-6-14/h3-6,15H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 90591979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).