N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide

C25H29N3O5S — CID 2945327

IUPACN-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(O)COc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-19(29)26-22-7-10-25(11-8-22)34(31,32)28-14-12-27(13-15-28)17-23(30)18-33-24-9-6-20-4-2-3-5-21(20)16-24/h2-11,16,23,30H,12-15,17-18H2,1H3,(H,26,29)
InChIKeyHOABBUBVWAWCPH-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.54
Rot. Bonds8

About N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2945327) 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-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2945327
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(O)COc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C25H29N3O5S/c1-19(29)26-22-7-10-25(11-8-22)34(31,32)28-14-12-27(13-15-28)17-23(30)18-33-24-9-6-20-4-2-3-5-21(20)16-24/h2-11,16,23,30H,12-15,17-18H2,1H3,(H,26,29)
InChIKeyHOABBUBVWAWCPH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(2S)-2-Hydroxy-3-[[2-[4-[(phenylsulfonyl)amino]phenyl]ethyl]amino]propoxy]phenyl]methyl]-acetamide
CID 10028830
4-(Hydroxyamino)-N-(2-(naphthalen-2-yloxy)ethyl)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzenesulfonamide
CID 16082414
(3-Phenoxyphenyl)methyl 4-[4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 52939163
N-(4-{[4-(2-naphthyloxy)anilino]sulfonyl}phenyl)acetamide
CID 1217803
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
CID 2465842
N-[3-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3917864
N-[3-(dimethylsulfamoyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 4794702
N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylsulfamoyl)-phenyl]-acetamide
CID 44268482
N-[4-[(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide
CID 145978345
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-naphthalen-2-yloxyacetate
CID 3950308
1-(Naphthalen-2-yloxy)-3-(4-m-tolylpiperazin-1-yl)propan-2-ol
CID 260315
N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-naphthyloxy)acetamide
CID 1010518

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 2945327) is N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(O)COc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is HOABBUBVWAWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-19(29)26-22-7-10-25(11-8-22)34(31,32)28-14-12-27(13-15-28)17-23(30)18-33-24-9-6-20-4-2-3-5-21(20)16-24/h2-11,16,23,30H,12-15,17-18H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 483.59 g/mol, XLogP of 2.54, 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-2-yloxypropyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2945327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).