ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate

C26H34N2O5S — CID 43002482

IUPACethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1
InChIInChI=1S/C26H34N2O5S/c1-6-33-25(30)20-13-15-28(16-14-20)24(29)19-8-11-22(12-9-19)27-34(31,32)23-17-21(26(3,4)5)10-7-18(23)2/h7-12,17,20,27H,6,13-16H2,1-5H3
InChIKeyMHKACKGCKFSLMZ-UHFFFAOYSA-N
MW486.63 g/mol
LogP4.51
Rot. Bonds6

About ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate

ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate (PubChem CID 43002482) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
PubChem CID43002482
Molecular FormulaC26H34N2O5S
Molecular Weight486.63 g/mol
Exact Mass486.22
IUPAC Nameethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1
InChIInChI=1S/C26H34N2O5S/c1-6-33-25(30)20-13-15-28(16-14-20)24(29)19-8-11-22(12-9-19)27-34(31,32)23-17-21(26(3,4)5)10-7-18(23)2/h7-12,17,20,27H,6,13-16H2,1-5H3
InChIKeyMHKACKGCKFSLMZ-UHFFFAOYSA-N
XLogP4.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
CID 27555483
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
ethyl 1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 3905235
ethyl 1-[4-(prop-2-ynylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51298052
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
CID 119797301
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 4096134

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate (CID 43002482) is ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
The InChIKey is MHKACKGCKFSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-6-33-25(30)20-13-15-28(16-14-20)24(29)19-8-11-22(12-9-19)27-34(31,32)23-17-21(26(3,4)5)10-7-18(23)2/h7-12,17,20,27H,6,13-16H2,1-5H3.
What are the key properties of ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate has a molecular weight of 486.63 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43002482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).