2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid

C26H24N2O5S — CID 141119806

IUPAC2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(-c2ccc(OCc3ccnc4ccccc34)cc2)cc1)C(=O)O
InChIInChI=1S/C26H24N2O5S/c1-2-24(26(29)30)28-34(31,32)22-13-9-19(10-14-22)18-7-11-21(12-8-18)33-17-20-15-16-27-25-6-4-3-5-23(20)25/h3-16,24,28H,2,17H2,1H3,(H,29,30)
InChIKeyLWOOMKXIVKSANL-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.62
Rot. Bonds9

About 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid

2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid (PubChem CID 141119806) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
PubChem CID141119806
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(-c2ccc(OCc3ccnc4ccccc34)cc2)cc1)C(=O)O
InChIInChI=1S/C26H24N2O5S/c1-2-24(26(29)30)28-34(31,32)22-13-9-19(10-14-22)18-7-11-21(12-8-18)33-17-20-15-16-27-25-6-4-3-5-23(20)25/h3-16,24,28H,2,17H2,1H3,(H,29,30)
InChIKeyLWOOMKXIVKSANL-UHFFFAOYSA-N
XLogP4.62
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
(2R)-3-methyl-2-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
CID 57390232
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yloxypentanoic acid
CID 18532985
4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-2-ylsulfanylpentanoic acid
CID 23508234
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
2-[(4-ethoxyphenyl)sulfonylamino]-5-methylhexanoic acid
CID 18801854
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid?
The IUPAC name of 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid (CID 141119806) is 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid?
The canonical SMILES for 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc(-c2ccc(OCc3ccnc4ccccc34)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid?
The InChIKey is LWOOMKXIVKSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-2-24(26(29)30)28-34(31,32)22-13-9-19(10-14-22)18-7-11-21(12-8-18)33-17-20-15-16-27-25-6-4-3-5-23(20)25/h3-16,24,28H,2,17H2,1H3,(H,29,30).
What are the key properties of 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid?
2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid has a molecular weight of 476.55 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(quinolin-4-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid is sourced from PubChem (CID 141119806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).