4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid

C23H24N2O7S — CID 18532985

IUPAC4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)COc3cccnc3)C(=O)O)cc2)cc1
InChIInChI=1S/C23H24N2O7S/c1-31-19-8-4-16(5-9-19)17-6-10-21(11-7-17)33(29,30)25-22(23(27)28)13-18(26)15-32-20-3-2-12-24-14-20/h2-12,14,18,22,25-26H,13,15H2,1H3,(H,27,28)
InChIKeyHGZMNDLJOZNBCM-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.32
Rot. Bonds11

About 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid

4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid (PubChem CID 18532985) has the molecular formula C23H24N2O7S and a molecular weight of 472.52 g/mol. Its IUPAC name is 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid
PubChem CID18532985
Molecular FormulaC23H24N2O7S
Molecular Weight472.52 g/mol
Exact Mass472.13
IUPAC Name4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)COc3cccnc3)C(=O)O)cc2)cc1
InChIInChI=1S/C23H24N2O7S/c1-31-19-8-4-16(5-9-19)17-6-10-21(11-7-17)33(29,30)25-22(23(27)28)13-18(26)15-32-20-3-2-12-24-14-20/h2-12,14,18,22,25-26H,13,15H2,1H3,(H,27,28)
InChIKeyHGZMNDLJOZNBCM-UHFFFAOYSA-N
XLogP2.32
TPSA135.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid with MolForge

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Related Compounds

4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid
CID 23508234
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
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
5-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid
CID 67706916
methyl 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]butanoate
CID 67706825
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
CID 19032984
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
(2R)-4-fluoro-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 89123750
2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
CID 141119806

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid?
The IUPAC name of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid (CID 18532985) is 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid?
The canonical SMILES for 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid is COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)COc3cccnc3)C(=O)O)cc2)cc1.
What is the InChIKey of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid?
The InChIKey is HGZMNDLJOZNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S/c1-31-19-8-4-16(5-9-19)17-6-10-21(11-7-17)33(29,30)25-22(23(27)28)13-18(26)15-32-20-3-2-12-24-14-20/h2-12,14,18,22,25-26H,13,15H2,1H3,(H,27,28).
What are the key properties of 4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid?
4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid has a molecular weight of 472.52 g/mol, XLogP of 2.32, 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-3-yloxypentanoic acid is sourced from PubChem (CID 18532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).