2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide

C23H23N3O4S — CID 100787401

IUPAC2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4S/c1-26(31(29,30)21-5-3-2-4-6-21)20-13-9-18(10-14-20)16-23(28)25-19-11-7-17(8-12-19)15-22(24)27/h2-14H,15-16H2,1H3,(H2,24,27)(H,25,28)
InChIKeyWGYMBZZCXFNSCZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.72
Rot. Bonds8

About 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide

2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide (PubChem CID 100787401) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
PubChem CID100787401
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4S/c1-26(31(29,30)21-5-3-2-4-6-21)20-13-9-18(10-14-20)16-23(28)25-19-11-7-17(8-12-19)15-22(24)27/h2-14H,15-16H2,1H3,(H2,24,27)(H,25,28)
InChIKeyWGYMBZZCXFNSCZ-UHFFFAOYSA-N
XLogP2.72
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100787409
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
CID 100787443
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
CID 133260941
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide (CID 100787401) is 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide is CN(c1ccc(CC(=O)Nc2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide?
The InChIKey is WGYMBZZCXFNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-26(31(29,30)21-5-3-2-4-6-21)20-13-9-18(10-14-20)16-23(28)25-19-11-7-17(8-12-19)15-22(24)27/h2-14H,15-16H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide?
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 100787401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).