4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

C16H21NO7S — CID 122071165

IUPAC4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)COc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO7S/c1-23-15(18)10-24-13-6-8-14(9-7-13)25(21,22)17-12-4-2-11(3-5-12)16(19)20/h6-9,11-12,17H,2-5,10H2,1H3,(H,19,20)
InChIKeyJDBMXOWWPWTAIU-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.16
Rot. Bonds7

About 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 122071165) has the molecular formula C16H21NO7S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID122071165
Molecular FormulaC16H21NO7S
Molecular Weight371.41 g/mol
Exact Mass371.10
IUPAC Name4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)COc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO7S/c1-23-15(18)10-24-13-6-8-14(9-7-13)25(21,22)17-12-4-2-11(3-5-12)16(19)20/h6-9,11-12,17H,2-5,10H2,1H3,(H,19,20)
InChIKeyJDBMXOWWPWTAIU-UHFFFAOYSA-N
XLogP1.16
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122101413
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
methyl 2-[2-fluoro-4-[(4-hydroxycyclohexyl)sulfamoyl]phenoxy]acetate
CID 100814389
4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
CID 46406704
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 122071165) is 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is COC(=O)COc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JDBMXOWWPWTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO7S/c1-23-15(18)10-24-13-6-8-14(9-7-13)25(21,22)17-12-4-2-11(3-5-12)16(19)20/h6-9,11-12,17H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122071165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).