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

C23H24N2O5S — CID 1105792

IUPACN-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O5S/c1-3-29-22-12-8-7-11-21(22)24-23(26)17-25(31(2,27)28)18-13-15-20(16-14-18)30-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyGFFRVNHSDQSHPS-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.28
Rot. Bonds9

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

N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 1105792) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID1105792
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24N2O5S/c1-3-29-22-12-8-7-11-21(22)24-23(26)17-25(31(2,27)28)18-13-15-20(16-14-18)30-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyGFFRVNHSDQSHPS-UHFFFAOYSA-N
XLogP4.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
N-(3-chloro-2-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1352948
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 21372798
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-ethoxyphenyl)acetamide
CID 2962803
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
CID 126123006
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 1105792) is N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is GFFRVNHSDQSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-3-29-22-12-8-7-11-21(22)24-23(26)17-25(31(2,27)28)18-13-15-20(16-14-18)30-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 440.52 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 1105792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).