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

C22H26FN3O5S — CID 46798952

IUPACethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1
InChIInChI=1S/C22H26FN3O5S/c1-3-31-22(28)26-12-10-17(11-13-26)24-21(27)20-14-19(9-4-15(20)2)32(29,30)25-18-7-5-16(23)6-8-18/h4-9,14,17,25H,3,10-13H2,1-2H3,(H,24,27)
InChIKeyXFUORRMIZXFZJH-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.29
Rot. Bonds6

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

ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate (PubChem CID 46798952) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate
PubChem CID46798952
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC Nameethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1
InChIInChI=1S/C22H26FN3O5S/c1-3-31-22(28)26-12-10-17(11-13-26)24-21(27)20-14-19(9-4-15(20)2)32(29,30)25-18-7-5-16(23)6-8-18/h4-9,14,17,25H,3,10-13H2,1-2H3,(H,24,27)
InChIKeyXFUORRMIZXFZJH-UHFFFAOYSA-N
XLogP3.29
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
ethyl 1-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]cyclohexane-1-carboxylate
CID 55969080
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 2346750
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
3-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 60611163

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate (CID 46798952) is ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1.
What is the InChIKey of ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate?
The InChIKey is XFUORRMIZXFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-3-31-22(28)26-12-10-17(11-13-26)24-21(27)20-14-19(9-4-15(20)2)32(29,30)25-18-7-5-16(23)6-8-18/h4-9,14,17,25H,3,10-13H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate has a molecular weight of 463.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46798952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).