2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide

C23H24N2O4S — CID 51342544

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H24N2O4S/c1-18-7-6-10-21(15-18)25(30(2,27)28)16-23(26)24-20-11-13-22(14-12-20)29-17-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyYBVXCHRLWIFGLF-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.98
Rot. Bonds8

About 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 51342544) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID51342544
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H24N2O4S/c1-18-7-6-10-21(15-18)25(30(2,27)28)16-23(26)24-20-11-13-22(14-12-20)29-17-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyYBVXCHRLWIFGLF-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
2-(N-acetyl-3-methylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 113167614
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217842
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519657
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide (CID 51342544) is 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is YBVXCHRLWIFGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-18-7-6-10-21(15-18)25(30(2,27)28)16-23(26)24-20-11-13-22(14-12-20)29-17-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 51342544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).