N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C23H23N3O5S — CID 1319046

IUPACN-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23N3O5S/c1-17(27)24-18-8-10-19(11-9-18)25-23(28)16-26(32(2,29)30)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWMWJABYLKBDDLM-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.84
Rot. Bonds8

About N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 1319046) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID1319046
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23N3O5S/c1-17(27)24-18-8-10-19(11-9-18)25-23(28)16-26(32(2,29)30)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWMWJABYLKBDDLM-UHFFFAOYSA-N
XLogP3.84
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 1319046) is N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is WMWJABYLKBDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-17(27)24-18-8-10-19(11-9-18)25-23(28)16-26(32(2,29)30)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 453.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 1319046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).