2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide

C30H24N2O4S — CID 57112633

IUPAC2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide
SMILESC=Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C=C)cc2)cc1
InChIInChI=1S/C30H24N2O4S/c1-3-21-9-5-7-11-27(21)29(33)31-23-13-17-25(18-14-23)37(35,36)26-19-15-24(16-20-26)32-30(34)28-12-8-6-10-22(28)4-2/h3-20H,1-2H2,(H,31,33)(H,32,34)
InChIKeyGQLRTDQPYCIHBS-UHFFFAOYSA-N
MW508.60 g/mol
LogP6.31
Rot. Bonds8

About 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide

2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide (PubChem CID 57112633) has the molecular formula C30H24N2O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide
PubChem CID57112633
Molecular FormulaC30H24N2O4S
Molecular Weight508.60 g/mol
Exact Mass508.15
IUPAC Name2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide
SMILESC=Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C=C)cc2)cc1
InChIInChI=1S/C30H24N2O4S/c1-3-21-9-5-7-11-27(21)29(33)31-23-13-17-25(18-14-23)37(35,36)26-19-15-24(16-20-26)32-30(34)28-12-8-6-10-22(28)4-2/h3-20H,1-2H2,(H,31,33)(H,32,34)
InChIKeyGQLRTDQPYCIHBS-UHFFFAOYSA-N
XLogP6.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide?
The IUPAC name of 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide (CID 57112633) is 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide.
What is the SMILES notation for 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide?
The canonical SMILES for 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide is C=Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C=C)cc2)cc1.
What is the InChIKey of 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide?
The InChIKey is GQLRTDQPYCIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4S/c1-3-21-9-5-7-11-27(21)29(33)31-23-13-17-25(18-14-23)37(35,36)26-19-15-24(16-20-26)32-30(34)28-12-8-6-10-22(28)4-2/h3-20H,1-2H2,(H,31,33)(H,32,34).
What are the key properties of 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide?
2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide has a molecular weight of 508.60 g/mol, XLogP of 6.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide is sourced from PubChem (CID 57112633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).