2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide

C20H26N2O5S — CID 150866460

IUPAC2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide
SMILESCCCCCCC(C(=O)NO)S(=O)(=O)C(C(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O5S/c1-2-3-4-5-10-17(20(24)22-25)28(26,27)18(19(21)23)16-12-11-14-8-6-7-9-15(14)13-16/h6-9,11-13,17-18,25H,2-5,10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyKTDPMURCCHYLTE-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.63
Rot. Bonds10

About 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide

2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide (PubChem CID 150866460) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide.

Molecular Properties

Compound Name2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide
PubChem CID150866460
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide
SMILESCCCCCCC(C(=O)NO)S(=O)(=O)C(C(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O5S/c1-2-3-4-5-10-17(20(24)22-25)28(26,27)18(19(21)23)16-12-11-14-8-6-7-9-15(14)13-16/h6-9,11-13,17-18,25H,2-5,10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyKTDPMURCCHYLTE-UHFFFAOYSA-N
XLogP2.63
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 14032482
1-naphthalen-2-ylnonylhydrazine
CID 105213332
N-carbamothioyl-3-naphthalen-2-yldodecanamide
CID 175370376
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide
CID 154836494
N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide
CID 54510474
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
2-octan-3-ylnaphthalene
CID 14029920
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide?
The IUPAC name of 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide (CID 150866460) is 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide.
What is the SMILES notation for 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide?
The canonical SMILES for 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide is CCCCCCC(C(=O)NO)S(=O)(=O)C(C(N)=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide?
The InChIKey is KTDPMURCCHYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-2-3-4-5-10-17(20(24)22-25)28(26,27)18(19(21)23)16-12-11-14-8-6-7-9-15(14)13-16/h6-9,11-13,17-18,25H,2-5,10H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide?
2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide has a molecular weight of 406.50 g/mol, XLogP of 2.63, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide is sourced from PubChem (CID 150866460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).