2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid

C23H25NO5S — CID 67637593

IUPAC2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
SMILESCC(CS(=O)(=O)NCCC(Oc1cccc2ccccc12)C(=O)O)c1ccccc1
InChIInChI=1S/C23H25NO5S/c1-17(18-8-3-2-4-9-18)16-30(27,28)24-15-14-22(23(25)26)29-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17,22,24H,14-16H2,1H3,(H,25,26)
InChIKeyPEJIXLJODJDOJA-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.79
Rot. Bonds10

About 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid

2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid (PubChem CID 67637593) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
PubChem CID67637593
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
SMILESCC(CS(=O)(=O)NCCC(Oc1cccc2ccccc12)C(=O)O)c1ccccc1
InChIInChI=1S/C23H25NO5S/c1-17(18-8-3-2-4-9-18)16-30(27,28)24-15-14-22(23(25)26)29-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17,22,24H,14-16H2,1H3,(H,25,26)
InChIKeyPEJIXLJODJDOJA-UHFFFAOYSA-N
XLogP3.79
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid
CID 67637604
4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid
CID 67638166
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
CID 19694541
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
CID 100524327
(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid?
The IUPAC name of 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid (CID 67637593) is 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid?
The canonical SMILES for 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid is CC(CS(=O)(=O)NCCC(Oc1cccc2ccccc12)C(=O)O)c1ccccc1.
What is the InChIKey of 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid?
The InChIKey is PEJIXLJODJDOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-17(18-8-3-2-4-9-18)16-30(27,28)24-15-14-22(23(25)26)29-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17,22,24H,14-16H2,1H3,(H,25,26).
What are the key properties of 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid?
2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid has a molecular weight of 427.52 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid is sourced from PubChem (CID 67637593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).