1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C20H26N2O5S — CID 3162871

IUPAC1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C
InChIInChI=1S/C20H26N2O5S/c1-3-26-19-7-6-18(13-15(19)2)28(24,25)22-10-8-16(9-11-22)20(23)21-14-17-5-4-12-27-17/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,21,23)
InChIKeyFRXUTDPYPIUKSH-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.70
Rot. Bonds7

About 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3162871) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3162871
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C
InChIInChI=1S/C20H26N2O5S/c1-3-26-19-7-6-18(13-15(19)2)28(24,25)22-10-8-16(9-11-22)20(23)21-14-17-5-4-12-27-17/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,21,23)
InChIKeyFRXUTDPYPIUKSH-UHFFFAOYSA-N
XLogP2.70
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 3161891
N-(furan-2-ylmethyl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068494
N-(furan-2-ylmethyl)-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106120
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20902125
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
1-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20911735
[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 6460118
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 3162871) is 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FRXUTDPYPIUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-26-19-7-6-18(13-15(19)2)28(24,25)22-10-8-16(9-11-22)20(23)21-14-17-5-4-12-27-17/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3162871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).