N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide

C23H31N3O3S — CID 78162027

IUPACN-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccnc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C23H31N3O3S/c1-17(2)30(28,29)25-16-18(3)19-7-9-20(10-8-19)21-11-12-24-22(15-21)23(27)26-13-5-4-6-14-26/h7-12,15,17-18,25H,4-6,13-14,16H2,1-3H3
InChIKeyWZMNENHEYKJTSX-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.81
Rot. Bonds7

About N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide

N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide (PubChem CID 78162027) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide
PubChem CID78162027
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccnc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C23H31N3O3S/c1-17(2)30(28,29)25-16-18(3)19-7-9-20(10-8-19)21-11-12-24-22(15-21)23(27)26-13-5-4-6-14-26/h7-12,15,17-18,25H,4-6,13-14,16H2,1-3H3
InChIKeyWZMNENHEYKJTSX-UHFFFAOYSA-N
XLogP3.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide (CID 78162027) is N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccnc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide?
The InChIKey is WZMNENHEYKJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17(2)30(28,29)25-16-18(3)19-7-9-20(10-8-19)21-11-12-24-22(15-21)23(27)26-13-5-4-6-14-26/h7-12,15,17-18,25H,4-6,13-14,16H2,1-3H3.
What are the key properties of N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide?
N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide has a molecular weight of 429.59 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 78162027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).