4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide

C23H37N3O5S — CID 20630138

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
SMILESCC1CC(Oc2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1
InChIInChI=1S/C23H37N3O5S/c1-16-14-21(15-17(2)30-16)31-20-8-6-18(7-9-20)24-22(27)26-12-10-19(11-13-26)25-32(28,29)23(3,4)5/h6-9,16-17,19,21,25H,10-15H2,1-5H3,(H,24,27)
InChIKeyRUKGFIBBJXWCKV-UHFFFAOYSA-N
MW467.63 g/mol
LogP3.74
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide (PubChem CID 20630138) has the molecular formula C23H37N3O5S and a molecular weight of 467.63 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
PubChem CID20630138
Molecular FormulaC23H37N3O5S
Molecular Weight467.63 g/mol
Exact Mass467.25
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
SMILESCC1CC(Oc2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1
InChIInChI=1S/C23H37N3O5S/c1-16-14-21(15-17(2)30-16)31-20-8-6-18(7-9-20)24-22(27)26-12-10-19(11-13-26)25-32(28,29)23(3,4)5/h6-9,16-17,19,21,25H,10-15H2,1-5H3,(H,24,27)
InChIKeyRUKGFIBBJXWCKV-UHFFFAOYSA-N
XLogP3.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide
CID 100665698
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
CID 20629976
4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 20630715
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide
CID 20630008
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
CID 20629067
N-[4-[[4-(2,6-dimethyloxan-4-yl)oxyanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939123
4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 20630688

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide (CID 20630138) is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide is CC1CC(Oc2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide?
The InChIKey is RUKGFIBBJXWCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O5S/c1-16-14-21(15-17(2)30-16)31-20-8-6-18(7-9-20)24-22(27)26-12-10-19(11-13-26)25-32(28,29)23(3,4)5/h6-9,16-17,19,21,25H,10-15H2,1-5H3,(H,24,27).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide has a molecular weight of 467.63 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20630138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).