N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide

C20H33N3O3S — CID 20630756

IUPACN-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-19(2,3)15-7-9-16(10-8-15)21-18(24)23-13-11-17(12-14-23)22-27(25,26)20(4,5)6/h7-10,17,22H,11-14H2,1-6H3,(H,21,24)
InChIKeyHIAUICLVPPBESP-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.70
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide

N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630756) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630756
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-19(2,3)15-7-9-16(10-8-15)21-18(24)23-13-11-17(12-14-23)22-27(25,26)20(4,5)6/h7-10,17,22H,11-14H2,1-6H3,(H,21,24)
InChIKeyHIAUICLVPPBESP-UHFFFAOYSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
CID 20630138
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
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
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-phenylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 159835989
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide (CID 20630756) is N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is HIAUICLVPPBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-19(2,3)15-7-9-16(10-8-15)21-18(24)23-13-11-17(12-14-23)22-27(25,26)20(4,5)6/h7-10,17,22H,11-14H2,1-6H3,(H,21,24).
What are the key properties of N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).