ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate

C23H27FN2O5S — CID 55969080

IUPACethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CCCCC1
InChIInChI=1S/C23H27FN2O5S/c1-3-31-22(28)23(13-5-4-6-14-23)25-21(27)20-15-19(12-7-16(20)2)32(29,30)26-18-10-8-17(24)9-11-18/h7-12,15,26H,3-6,13-14H2,1-2H3,(H,25,27)
InChIKeySEOUDWXWFPNYQY-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.93
Rot. Bonds7

About ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 55969080) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate
PubChem CID55969080
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Nameethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CCCCC1
InChIInChI=1S/C23H27FN2O5S/c1-3-31-22(28)23(13-5-4-6-14-23)25-21(27)20-15-19(12-7-16(20)2)32(29,30)26-18-10-8-17(24)9-11-18/h7-12,15,26H,3-6,13-14H2,1-2H3,(H,25,27)
InChIKeySEOUDWXWFPNYQY-UHFFFAOYSA-N
XLogP3.93
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate 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

ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
CID 55969219
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate
CID 46798952
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate (CID 55969080) is ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CCCCC1.
What is the InChIKey of ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is SEOUDWXWFPNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-3-31-22(28)23(13-5-4-6-14-23)25-21(27)20-15-19(12-7-16(20)2)32(29,30)26-18-10-8-17(24)9-11-18/h7-12,15,26H,3-6,13-14H2,1-2H3,(H,25,27).
What are the key properties of ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 462.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55969080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).