4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid

C28H25NO5S — CID 67638166

IUPAC4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid
SMILESO=C(O)C(CCNS(=O)(=O)C=C(c1ccccc1)c1ccccc1)Oc1cccc2ccccc12
InChIInChI=1S/C28H25NO5S/c30-28(31)27(34-26-17-9-15-21-14-7-8-16-24(21)26)18-19-29-35(32,33)20-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-17,20,27,29H,18-19H2,(H,30,31)
InChIKeyBYQMFVAIOIBIES-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.07
Rot. Bonds10

About 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid

4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid (PubChem CID 67638166) has the molecular formula C28H25NO5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid.

Molecular Properties

Compound Name4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid
PubChem CID67638166
Molecular FormulaC28H25NO5S
Molecular Weight487.58 g/mol
Exact Mass487.15
IUPAC Name4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid
SMILESO=C(O)C(CCNS(=O)(=O)C=C(c1ccccc1)c1ccccc1)Oc1cccc2ccccc12
InChIInChI=1S/C28H25NO5S/c30-28(31)27(34-26-17-9-15-21-14-7-8-16-24(21)26)18-19-29-35(32,33)20-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-17,20,27,29H,18-19H2,(H,30,31)
InChIKeyBYQMFVAIOIBIES-UHFFFAOYSA-N
XLogP5.07
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
CID 67637593
4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid
CID 67637604
[5-[2-[[2-(4-chlorophenyl)-2-phenylethenyl]sulfonylamino]ethyl]naphthalen-1-yl] 2-hydroxyacetate
CID 67704886
(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
CID 100524327
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100537884
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
2-naphthalen-1-yloxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133241337
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid?
The IUPAC name of 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid (CID 67638166) is 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid.
What is the SMILES notation for 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid?
The canonical SMILES for 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid is O=C(O)C(CCNS(=O)(=O)C=C(c1ccccc1)c1ccccc1)Oc1cccc2ccccc12.
What is the InChIKey of 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid?
The InChIKey is BYQMFVAIOIBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5S/c30-28(31)27(34-26-17-9-15-21-14-7-8-16-24(21)26)18-19-29-35(32,33)20-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-17,20,27,29H,18-19H2,(H,30,31).
What are the key properties of 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid?
4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid has a molecular weight of 487.58 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid is sourced from PubChem (CID 67638166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).