4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide

C24H32N2O3S — CID 108566073

IUPAC4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3S/c1-24(2,3)20-10-12-22(13-11-20)30(28,29)25-21-15-17-26(18-16-21)23(27)14-9-19-7-5-4-6-8-19/h4-8,10-13,21,25H,9,14-18H2,1-3H3
InChIKeyATTBPWRPNXUYMU-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.89
Rot. Bonds6

About 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide

4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108566073) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108566073
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3S/c1-24(2,3)20-10-12-22(13-11-20)30(28,29)25-21-15-17-26(18-16-21)23(27)14-9-19-7-5-4-6-8-19/h4-8,10-13,21,25H,9,14-18H2,1-3H3
InChIKeyATTBPWRPNXUYMU-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55484384
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
4-tert-butyl-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzenesulfonamide
CID 108563235
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564360
4-nitro-N-[1-(2-phenylacetyl)piperidin-4-yl]benzenesulfonamide
CID 108564334
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
N-cyclopropyl-4-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 92645794
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565892
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide (CID 108566073) is 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is ATTBPWRPNXUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-24(2,3)20-10-12-22(13-11-20)30(28,29)25-21-15-17-26(18-16-21)23(27)14-9-19-7-5-4-6-8-19/h4-8,10-13,21,25H,9,14-18H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide?
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).