5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid

C18H26N2O6S — CID 122118589

IUPAC5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H26N2O6S/c1-12(2)26-16-6-4-15(5-7-16)19-27(24,25)11-17(21)20-9-13(3)8-14(10-20)18(22)23/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,23)
InChIKeyZDVHBTXDFYISGF-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.78
Rot. Bonds7

About 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid

5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid (PubChem CID 122118589) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid
PubChem CID122118589
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H26N2O6S/c1-12(2)26-16-6-4-15(5-7-16)19-27(24,25)11-17(21)20-9-13(3)8-14(10-20)18(22)23/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,23)
InChIKeyZDVHBTXDFYISGF-UHFFFAOYSA-N
XLogP1.78
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677637
2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55967104
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide;hydrochloride
CID 120808278
2-methyl-N-[1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidin-4-yl]benzamide
CID 55962836
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55821184
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
CID 119198613
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
N-(4-propan-2-yloxyphenyl)piperidine-1-sulfonamide
CID 110705941

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid (CID 122118589) is 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is ZDVHBTXDFYISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-12(2)26-16-6-4-15(5-7-16)19-27(24,25)11-17(21)20-9-13(3)8-14(10-20)18(22)23/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 398.48 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122118589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).