4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid

C18H26N2O6S — CID 120672346

IUPAC4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O6S/c1-4-26-15-10-9-14(11-16(15)27(24,25)20(2)3)19-17(21)12-5-7-13(8-6-12)18(22)23/h9-13H,4-8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyHRDRXLHDAGKFSZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.17
Rot. Bonds7

About 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672346) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672346
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O6S/c1-4-26-15-10-9-14(11-16(15)27(24,25)20(2)3)19-17(21)12-5-7-13(8-6-12)18(22)23/h9-13H,4-8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyHRDRXLHDAGKFSZ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]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

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclohex-3-ene-1-carboxamide
CID 51212890
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
(2S,5R)-5-(aminomethyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]oxolane-2-carboxamide
CID 120784662
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 21175502
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25481154
1-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953029
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672346) is 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid is CCOc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HRDRXLHDAGKFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-4-26-15-10-9-14(11-16(15)27(24,25)20(2)3)19-17(21)12-5-7-13(8-6-12)18(22)23/h9-13H,4-8H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 398.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).