2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid

C24H31NO7S — CID 70166882

IUPAC2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OCCC2CNCCO2)cc1)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H31NO7S/c1-3-24(23(26)27,33(28,29)22-10-8-19(30-2)9-11-22)16-18-4-6-20(7-5-18)31-14-12-21-17-25-13-15-32-21/h4-11,21,25H,3,12-17H2,1-2H3,(H,26,27)
InChIKeyXRGVQXXAVKEWCP-UHFFFAOYSA-N
MW477.58 g/mol
LogP2.70
Rot. Bonds11

About 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid

2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid (PubChem CID 70166882) has the molecular formula C24H31NO7S and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid
PubChem CID70166882
Molecular FormulaC24H31NO7S
Molecular Weight477.58 g/mol
Exact Mass477.18
IUPAC Name2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OCCC2CNCCO2)cc1)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H31NO7S/c1-3-24(23(26)27,33(28,29)22-10-8-19(30-2)9-11-22)16-18-4-6-20(7-5-18)31-14-12-21-17-25-13-15-32-21/h4-11,21,25H,3,12-17H2,1-2H3,(H,26,27)
InChIKeyXRGVQXXAVKEWCP-UHFFFAOYSA-N
XLogP2.70
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid with MolForge

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Related Compounds

2-[[4-[2-(azepan-2-yl)ethoxy]phenyl]methyl]-2-(4-methoxyphenyl)sulfonylpentanoic acid
CID 70061143
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
2-[(4-ethylsulfonylphenoxy)methyl]morpholine
CID 114469326
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-[4-(2-piperidin-2-ylethoxy)phenyl]propanoate
CID 70062115
2-(4-methoxyphenyl)sulfonyl-5,9-dimethyl-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]deca-4,8-dienoic acid
CID 54547173
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
2-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]-1,4-dioxane
CID 166266733
2-[3-(4-nitrophenoxy)propyl]morpholine
CID 22012898
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 175078141

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid (CID 70166882) is 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid is CCC(Cc1ccc(OCCC2CNCCO2)cc1)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid?
The InChIKey is XRGVQXXAVKEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO7S/c1-3-24(23(26)27,33(28,29)22-10-8-19(30-2)9-11-22)16-18-4-6-20(7-5-18)31-14-12-21-17-25-13-15-32-21/h4-11,21,25H,3,12-17H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid?
2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid has a molecular weight of 477.58 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-2-[[4-(2-morpholin-2-ylethoxy)phenyl]methyl]butanoic acid is sourced from PubChem (CID 70166882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).