N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide

C25H28N2O2S — CID 15710743

IUPACN-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCN1CC=C(c2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O2S/c1-30(28,29)27(25-14-7-12-23-11-5-6-13-24(23)25)18-8-17-26-19-15-22(16-20-26)21-9-3-2-4-10-21/h2-7,9-15H,8,16-20H2,1H3
InChIKeySCPNMTOXHVHEIH-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.79
Rot. Bonds7

About N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide

N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide (PubChem CID 15710743) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide
PubChem CID15710743
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCCN1CC=C(c2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O2S/c1-30(28,29)27(25-14-7-12-23-11-5-6-13-24(23)25)18-8-17-26-19-15-22(16-20-26)21-9-3-2-4-10-21/h2-7,9-15H,8,16-20H2,1H3
InChIKeySCPNMTOXHVHEIH-UHFFFAOYSA-N
XLogP4.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide (CID 15710743) is N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)N(CCCN1CC=C(c2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
The InChIKey is SCPNMTOXHVHEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-30(28,29)27(25-14-7-12-23-11-5-6-13-24(23)25)18-8-17-26-19-15-22(16-20-26)21-9-3-2-4-10-21/h2-7,9-15H,8,16-20H2,1H3.
What are the key properties of N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide has a molecular weight of 420.58 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 15710743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).