3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C26H34N2O4S — CID 46467008

IUPAC3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)NC(C)C)c3)CC2)cc1
InChIInChI=1S/C26H34N2O4S/c1-18(2)16-20-8-10-21(11-9-20)25(29)22-12-14-28(15-13-22)26(30)23-6-5-7-24(17-23)33(31,32)27-19(3)4/h5-11,17-19,22,27H,12-16H2,1-4H3
InChIKeyLZIDFKIKKCNBMM-UHFFFAOYSA-N
MW470.64 g/mol
LogP4.31
Rot. Bonds8

About 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 46467008) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID46467008
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)NC(C)C)c3)CC2)cc1
InChIInChI=1S/C26H34N2O4S/c1-18(2)16-20-8-10-21(11-9-20)25(29)22-12-14-28(15-13-22)26(30)23-6-5-7-24(17-23)33(31,32)27-19(3)4/h5-11,17-19,22,27H,12-16H2,1-4H3
InChIKeyLZIDFKIKKCNBMM-UHFFFAOYSA-N
XLogP4.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119663964
N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55955437
N-[2-(2-fluorophenyl)ethyl]-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55779272
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 46467008) is 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)NC(C)C)c3)CC2)cc1.
What is the InChIKey of 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LZIDFKIKKCNBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-18(2)16-20-8-10-21(11-9-20)25(29)22-12-14-28(15-13-22)26(30)23-6-5-7-24(17-23)33(31,32)27-19(3)4/h5-11,17-19,22,27H,12-16H2,1-4H3.
What are the key properties of 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 470.64 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 46467008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).