2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide

C22H22N2O4S — CID 8574795

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H22N2O4S/c1-17-8-6-7-11-21(17)24(29(2,26)27)16-22(25)23-18-12-14-20(15-13-18)28-19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyYUVANTQEXSSVLO-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.19
Rot. Bonds7

About 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide (PubChem CID 8574795) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
PubChem CID8574795
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H22N2O4S/c1-17-8-6-7-11-21(17)24(29(2,26)27)16-22(25)23-18-12-14-20(15-13-18)28-19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyYUVANTQEXSSVLO-UHFFFAOYSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363518
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide (CID 8574795) is 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide is Cc1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is YUVANTQEXSSVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-17-8-6-7-11-21(17)24(29(2,26)27)16-22(25)23-18-12-14-20(15-13-18)28-19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 8574795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).