[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone

C29H28N2O6S — CID 58399710

IUPAC[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone
SMILESNCCOc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(OCCN)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H28N2O6S/c30-17-19-35-23-5-1-21(2-6-23)29(32)22-3-7-25(8-4-22)37-26-11-15-28(16-12-26)38(33,34)27-13-9-24(10-14-27)36-20-18-31/h1-16H,17-20,30-31H2
InChIKeyYGYPFTLFNUGALL-UHFFFAOYSA-N
MW532.62 g/mol
LogP4.22
Rot. Bonds12

About [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone

[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone (PubChem CID 58399710) has the molecular formula C29H28N2O6S and a molecular weight of 532.62 g/mol. Its IUPAC name is [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone
PubChem CID58399710
Molecular FormulaC29H28N2O6S
Molecular Weight532.62 g/mol
Exact Mass532.17
IUPAC Name[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone
SMILESNCCOc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(OCCN)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H28N2O6S/c30-17-19-35-23-5-1-21(2-6-23)29(32)22-3-7-25(8-4-22)37-26-11-15-28(16-12-26)38(33,34)27-13-9-24(10-14-27)36-20-18-31/h1-16H,17-20,30-31H2
InChIKeyYGYPFTLFNUGALL-UHFFFAOYSA-N
XLogP4.22
TPSA130.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
CID 175364339
[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-chlorobenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58795328
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
4-[4-[4-[4-[4-(4-carboxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]benzoic acid
CID 22404867
4-aminobenzoic acid;4-(2-aminoethoxy)benzoic acid
CID 157214876
2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
CID 62349233
propyl 2-[4-[4-(2-oxo-2-propoxyethoxy)phenyl]sulfonylphenoxy]acetate
CID 4149665
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157198968

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone?
The IUPAC name of [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone (CID 58399710) is [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone.
What is the SMILES notation for [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone?
The canonical SMILES for [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone is NCCOc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(OCCN)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone?
The InChIKey is YGYPFTLFNUGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O6S/c30-17-19-35-23-5-1-21(2-6-23)29(32)22-3-7-25(8-4-22)37-26-11-15-28(16-12-26)38(33,34)27-13-9-24(10-14-27)36-20-18-31/h1-16H,17-20,30-31H2.
What are the key properties of [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone?
[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone has a molecular weight of 532.62 g/mol, XLogP of 4.22, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone is sourced from PubChem (CID 58399710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).