4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid

C19H28N2O5S — CID 119230116

IUPAC4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C19H28N2O5S/c1-4-21(5-2)27(25,26)16-11-6-13(3)17(12-16)18(22)20-15-9-7-14(8-10-15)19(23)24/h6,11-12,14-15H,4-5,7-10H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyNJDVMJSNBYVING-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.40
Rot. Bonds7

About 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid

4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230116) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230116
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C19H28N2O5S/c1-4-21(5-2)27(25,26)16-11-6-13(3)17(12-16)18(22)20-15-9-7-14(8-10-15)19(23)24/h6,11-12,14-15H,4-5,7-10H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyNJDVMJSNBYVING-UHFFFAOYSA-N
XLogP2.40
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902029
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119213891
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid (CID 119230116) is 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NJDVMJSNBYVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-4-21(5-2)27(25,26)16-11-6-13(3)17(12-16)18(22)20-15-9-7-14(8-10-15)19(23)24/h6,11-12,14-15H,4-5,7-10H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 396.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).