N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C25H29N3O5S — CID 14739885

IUPACN-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-34(31,32)26-21-11-9-20(10-12-21)25(30)28-15-13-27(14-16-28)17-22(29)18-33-24-8-4-6-19-5-2-3-7-23(19)24/h2-12,22,26,29H,13-18H2,1H3
InChIKeyXSEDLRHNMTZLFC-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.41
Rot. Bonds8

About N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 14739885) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID14739885
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-34(31,32)26-21-11-9-20(10-12-21)25(30)28-15-13-27(14-16-28)17-22(29)18-33-24-8-4-6-19-5-2-3-7-23(19)24/h2-12,22,26,29H,13-18H2,1H3
InChIKeyXSEDLRHNMTZLFC-UHFFFAOYSA-N
XLogP2.41
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 14739885) is N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is XSEDLRHNMTZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-34(31,32)26-21-11-9-20(10-12-21)25(30)28-15-13-27(14-16-28)17-22(29)18-33-24-8-4-6-19-5-2-3-7-23(19)24/h2-12,22,26,29H,13-18H2,1H3.
What are the key properties of N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14739885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).