2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide

C30H28N2O6S — CID 5077969

IUPAC2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)c2)cc1
InChIInChI=1S/C30H28N2O6S/c1-37-25-13-9-21(10-14-25)17-29(33)31-23-5-3-7-27(19-23)39(35,36)28-8-4-6-24(20-28)32-30(34)18-22-11-15-26(38-2)16-12-22/h3-16,19-20H,17-18H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyXMSOPWKXSKUWEG-UHFFFAOYSA-N
MW544.63 g/mol
LogP4.90
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide

2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide (PubChem CID 5077969) has the molecular formula C30H28N2O6S and a molecular weight of 544.63 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
PubChem CID5077969
Molecular FormulaC30H28N2O6S
Molecular Weight544.63 g/mol
Exact Mass544.17
IUPAC Name2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)c2)cc1
InChIInChI=1S/C30H28N2O6S/c1-37-25-13-9-21(10-14-25)17-29(33)31-23-5-3-7-27(19-23)39(35,36)28-8-4-6-24(20-28)32-30(34)18-22-11-15-26(38-2)16-12-22/h3-16,19-20H,17-18H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyXMSOPWKXSKUWEG-UHFFFAOYSA-N
XLogP4.90
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.63
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide (CID 5077969) is 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
The InChIKey is XMSOPWKXSKUWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6S/c1-37-25-13-9-21(10-14-25)17-29(33)31-23-5-3-7-27(19-23)39(35,36)28-8-4-6-24(20-28)32-30(34)18-22-11-15-26(38-2)16-12-22/h3-16,19-20H,17-18H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide has a molecular weight of 544.63 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 5077969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).