sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate

C21H26N2O6S — CID 87741441

IUPACsulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate
SMILESCOc1cccc(C2(CC(=O)OS(N)(=O)=O)CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H26N2O6S/c1-27-17-7-5-6-16(14-17)21(15-20(24)29-30(22,25)26)10-12-23(13-11-21)18-8-3-4-9-19(18)28-2/h3-9,14H,10-13,15H2,1-2H3,(H2,22,25,26)
InChIKeyKLKZVCRUGFMNDE-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.38
Rot. Bonds7

About sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate

sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate (PubChem CID 87741441) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namesulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate
PubChem CID87741441
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Namesulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate
SMILESCOc1cccc(C2(CC(=O)OS(N)(=O)=O)CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H26N2O6S/c1-27-17-7-5-6-16(14-17)21(15-20(24)29-30(22,25)26)10-12-23(13-11-21)18-8-3-4-9-19(18)28-2/h3-9,14H,10-13,15H2,1-2H3,(H2,22,25,26)
InChIKeyKLKZVCRUGFMNDE-UHFFFAOYSA-N
XLogP2.38
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine
CID 23133870
N-ethyl-N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]ethanamine
CID 23133885
N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepan-4-yl]methyl]benzamide
CID 58851192
N-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidine-4-carbonyl]sulfamate;hydrochloride
CID 23161186
N-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]butan-1-amine
CID 90999520
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 23160979
N-ethyl-1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxamide
CID 58851187
1-[3-amino-2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]urea
CID 44590614
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(triazol-1-ylmethyl)azepane
CID 58851195
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
CID 172700372
CID 172700372
1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[1-[2-(2-hydroxyethoxy)phenyl]-4-(3-methoxyphenyl)piperidin-4-yl]methyl]urea;dihydrochloride
CID 90664922

Frequently Asked Questions

What is the IUPAC name of sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate?
The IUPAC name of sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate (CID 87741441) is sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate.
What is the SMILES notation for sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate?
The canonical SMILES for sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate is COc1cccc(C2(CC(=O)OS(N)(=O)=O)CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate?
The InChIKey is KLKZVCRUGFMNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-17-7-5-6-16(14-17)21(15-20(24)29-30(22,25)26)10-12-23(13-11-21)18-8-3-4-9-19(18)28-2/h3-9,14H,10-13,15H2,1-2H3,(H2,22,25,26).
What are the key properties of sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate?
sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate has a molecular weight of 434.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl 2-[1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl]acetate is sourced from PubChem (CID 87741441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).