4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide

C22H35N3O4S — CID 20629788

IUPAC4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C22H35N3O4S/c1-22(2,3)30(27,28)24-17-12-14-25(15-13-17)21(26)23-18-8-7-11-20(16-18)29-19-9-5-4-6-10-19/h7-8,11,16-17,19,24H,4-6,9-10,12-15H2,1-3H3,(H,23,26)
InChIKeyCODWAXYOSYIBEY-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.11
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide (PubChem CID 20629788) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
PubChem CID20629788
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC Name4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C22H35N3O4S/c1-22(2,3)30(27,28)24-17-12-14-25(15-13-17)21(26)23-18-8-7-11-20(16-18)29-19-9-5-4-6-10-19/h7-8,11,16-17,19,24H,4-6,9-10,12-15H2,1-3H3,(H,23,26)
InChIKeyCODWAXYOSYIBEY-UHFFFAOYSA-N
XLogP4.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
CID 20630138
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide
CID 100665698
N-(3-cyclohexyloxyphenyl)-4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxamide
CID 23072106
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
(9aS)-N-(3-cyclopentyloxyphenyl)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 97276497
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
CID 20629976
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
N-(3-cyclohexyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 67082409

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide (CID 20629788) is 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(OC3CCCCC3)c2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide?
The InChIKey is CODWAXYOSYIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-22(2,3)30(27,28)24-17-12-14-25(15-13-17)21(26)23-18-8-7-11-20(16-18)29-19-9-5-4-6-10-19/h7-8,11,16-17,19,24H,4-6,9-10,12-15H2,1-3H3,(H,23,26).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 20629788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).