4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide

C42H32N2O6S — CID 19366189

IUPAC4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
SMILESC=Cc1ccc(C(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)c4ccc(C=C)cc4)c3)c2)cc1
InChIInChI=1S/C42H32N2O6S/c1-3-29-19-23-31(24-20-29)41(45)43-37-15-5-7-17-39(37)49-33-11-9-13-35(27-33)51(47,48)36-14-10-12-34(28-36)50-40-18-8-6-16-38(40)44-42(46)32-25-21-30(4-2)22-26-32/h3-28H,1-2H2,(H,43,45)(H,44,46)
InChIKeyDYMBJXXRBYNMOM-UHFFFAOYSA-N
MW692.79 g/mol
LogP9.89
Rot. Bonds12

About 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide

4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide (PubChem CID 19366189) has the molecular formula C42H32N2O6S and a molecular weight of 692.79 g/mol. Its IUPAC name is 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
PubChem CID19366189
Molecular FormulaC42H32N2O6S
Molecular Weight692.79 g/mol
Exact Mass692.20
IUPAC Name4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
SMILESC=Cc1ccc(C(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)c4ccc(C=C)cc4)c3)c2)cc1
InChIInChI=1S/C42H32N2O6S/c1-3-29-19-23-31(24-20-29)41(45)43-37-15-5-7-17-39(37)49-33-11-9-13-35(27-33)51(47,48)36-14-10-12-34(28-36)50-40-18-8-6-16-38(40)44-42(46)32-25-21-30(4-2)22-26-32/h3-28H,1-2H2,(H,43,45)(H,44,46)
InChIKeyDYMBJXXRBYNMOM-UHFFFAOYSA-N
XLogP9.89
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.79
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
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CID 92672200
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034
4-isocyanato-N-(2-phenoxyphenyl)benzamide
CID 169353101
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 18506122
4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
CID 60557163
4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide
CID 23904570

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
The IUPAC name of 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide (CID 19366189) is 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide.
What is the SMILES notation for 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
The canonical SMILES for 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide is C=Cc1ccc(C(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)c4ccc(C=C)cc4)c3)c2)cc1.
What is the InChIKey of 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
The InChIKey is DYMBJXXRBYNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O6S/c1-3-29-19-23-31(24-20-29)41(45)43-37-15-5-7-17-39(37)49-33-11-9-13-35(27-33)51(47,48)36-14-10-12-34(28-36)50-40-18-8-6-16-38(40)44-42(46)32-25-21-30(4-2)22-26-32/h3-28H,1-2H2,(H,43,45)(H,44,46).
What are the key properties of 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide has a molecular weight of 692.79 g/mol, XLogP of 9.89, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[2-[3-[3-[2-[(4-ethenylbenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide is sourced from PubChem (CID 19366189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).