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

C32H28N2O4S — CID 70140557

IUPAC2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
SMILESC=Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)Cc4cccc(C=C)c4)cc3)cc2)c1
InChIInChI=1S/C32H28N2O4S/c1-3-23-7-5-9-25(19-23)21-31(35)33-27-11-15-29(16-12-27)39(37,38)30-17-13-28(14-18-30)34-32(36)22-26-10-6-8-24(4-2)20-26/h3-20H,1-2,21-22H2,(H,33,35)(H,34,36)
InChIKeyRUOCIYLVRZVEKH-UHFFFAOYSA-N
MW536.65 g/mol
LogP6.17
Rot. Bonds10

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

2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide (PubChem CID 70140557) has the molecular formula C32H28N2O4S and a molecular weight of 536.65 g/mol. Its IUPAC name is 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
PubChem CID70140557
Molecular FormulaC32H28N2O4S
Molecular Weight536.65 g/mol
Exact Mass536.18
IUPAC Name2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
SMILESC=Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)Cc4cccc(C=C)c4)cc3)cc2)c1
InChIInChI=1S/C32H28N2O4S/c1-3-23-7-5-9-25(19-23)21-31(35)33-27-11-15-29(16-12-27)39(37,38)30-17-13-28(14-18-30)34-32(36)22-26-10-6-8-24(4-2)20-26/h3-20H,1-2,21-22H2,(H,33,35)(H,34,36)
InChIKeyRUOCIYLVRZVEKH-UHFFFAOYSA-N
XLogP6.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.65
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
CID 91356894
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175348240
2-ethenyl-N-[4-[4-[(2-ethenylbenzoyl)amino]phenyl]sulfonylphenyl]benzamide
CID 57112633
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
N-[4-[2-[3-(methanesulfonamido)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421162
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide (CID 70140557) is 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide is C=Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)Cc4cccc(C=C)c4)cc3)cc2)c1.
What is the InChIKey of 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
The InChIKey is RUOCIYLVRZVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4S/c1-3-23-7-5-9-25(19-23)21-31(35)33-27-11-15-29(16-12-27)39(37,38)30-17-13-28(14-18-30)34-32(36)22-26-10-6-8-24(4-2)20-26/h3-20H,1-2,21-22H2,(H,33,35)(H,34,36).
What are the key properties of 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide?
2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide has a molecular weight of 536.65 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 70140557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).