4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid

C23H24N2O6S2 — CID 23508234

IUPAC4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3ccccn3)C(=O)O)cc2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-31-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33(29,30)25-21(23(27)28)14-18(26)15-32-22-4-2-3-13-24-22/h2-13,18,21,25-26H,14-15H2,1H3,(H,27,28)
InChIKeyMGOHZOUCQIBPHF-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.03
Rot. Bonds11

About 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid

4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid (PubChem CID 23508234) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid
PubChem CID23508234
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3ccccn3)C(=O)O)cc2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-31-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33(29,30)25-21(23(27)28)14-18(26)15-32-22-4-2-3-13-24-22/h2-13,18,21,25-26H,14-15H2,1H3,(H,27,28)
InChIKeyMGOHZOUCQIBPHF-UHFFFAOYSA-N
XLogP3.03
TPSA125.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid with MolForge

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Related Compounds

4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoic acid
CID 23508277
5-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid
CID 23508245
4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid
CID 18532985
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
(2R)-3-methyl-2-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
CID 57390232
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2R)-3-methyl-2-[[4-(4-pyridin-2-yloxyphenyl)phenyl]sulfonylamino]butanoic acid
CID 58959607
(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
CID 149150673
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid?
The IUPAC name of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid (CID 23508234) is 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid?
The canonical SMILES for 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid is COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3ccccn3)C(=O)O)cc2)cc1.
What is the InChIKey of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid?
The InChIKey is MGOHZOUCQIBPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-31-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33(29,30)25-21(23(27)28)14-18(26)15-32-22-4-2-3-13-24-22/h2-13,18,21,25-26H,14-15H2,1H3,(H,27,28).
What are the key properties of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid?
4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid has a molecular weight of 488.59 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid is sourced from PubChem (CID 23508234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).