N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide

C25H28N2O3S — CID 58504910

IUPACN-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide
SMILESO=C(C(CCc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C25H28N2O3S/c28-25(27-18-7-2-8-19-27)23(17-16-20-10-3-1-4-11-20)26-31(29,30)24-15-9-13-21-12-5-6-14-22(21)24/h1,3-6,9-15,23,26H,2,7-8,16-19H2
InChIKeyPCIZFFHKEJOXJE-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.13
Rot. Bonds7

About N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide

N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide (PubChem CID 58504910) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide
PubChem CID58504910
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide
SMILESO=C(C(CCc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C25H28N2O3S/c28-25(27-18-7-2-8-19-27)23(17-16-20-10-3-1-4-11-20)26-31(29,30)24-15-9-13-21-12-5-6-14-22(21)24/h1,3-6,9-15,23,26H,2,7-8,16-19H2
InChIKeyPCIZFFHKEJOXJE-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide (CID 58504910) is N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide is O=C(C(CCc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)N1CCCCC1.
What is the InChIKey of N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is PCIZFFHKEJOXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c28-25(27-18-7-2-8-19-27)23(17-16-20-10-3-1-4-11-20)26-31(29,30)24-15-9-13-21-12-5-6-14-22(21)24/h1,3-6,9-15,23,26H,2,7-8,16-19H2.
What are the key properties of N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide?
N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 436.58 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 58504910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).