N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C25H28N2O4S — CID 30266049

IUPACN-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-18-14-19(2)25(20(3)15-18)27(32(4,29)30)16-24(28)26-22-10-12-23(13-11-22)31-17-21-8-6-5-7-9-21/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyOINLZHYOASPUTC-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.60
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30266049) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30266049
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-18-14-19(2)25(20(3)15-18)27(32(4,29)30)16-24(28)26-22-10-12-23(13-11-22)31-17-21-8-6-5-7-9-21/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyOINLZHYOASPUTC-UHFFFAOYSA-N
XLogP4.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 21373137
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519657
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30266049) is N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is OINLZHYOASPUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-14-19(2)25(20(3)15-18)27(32(4,29)30)16-24(28)26-22-10-12-23(13-11-22)31-17-21-8-6-5-7-9-21/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30266049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).