2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C16H22N2O5S — CID 120545331

IUPAC2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2(C)CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O5S/c1-16(10-4-3-5-13(16)15(20)21)18-14(19)11-6-8-12(9-7-11)24(22,23)17-2/h6-9,13,17H,3-5,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVTNVJIRJPPMOAY-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.36
Rot. Bonds5

About 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120545331) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120545331
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2(C)CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O5S/c1-16(10-4-3-5-13(16)15(20)21)18-14(19)11-6-8-12(9-7-11)24(22,23)17-2/h6-9,13,17H,3-5,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyVTNVJIRJPPMOAY-UHFFFAOYSA-N
XLogP1.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545898
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-[[4-(cyanomethyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546510
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545390
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545600
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120545331) is 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is CNS(=O)(=O)c1ccc(C(=O)NC2(C)CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is VTNVJIRJPPMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-16(10-4-3-5-13(16)15(20)21)18-14(19)11-6-8-12(9-7-11)24(22,23)17-2/h6-9,13,17H,3-5,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).