2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide

C31H32N2O4S — CID 126068356

IUPAC2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O4S/c1-23-18-24(2)31(25(3)19-23)38(35,36)33(20-26-10-6-4-7-11-26)21-30(34)32-28-14-16-29(17-15-28)37-22-27-12-8-5-9-13-27/h4-19H,20-22H2,1-3H3,(H,32,34)
InChIKeyKTHOWYYVIMQGOY-UHFFFAOYSA-N
MW528.67 g/mol
LogP6.02
Rot. Bonds10

About 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 126068356) has the molecular formula C31H32N2O4S and a molecular weight of 528.67 g/mol. Its IUPAC name is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID126068356
Molecular FormulaC31H32N2O4S
Molecular Weight528.67 g/mol
Exact Mass528.21
IUPAC Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)c(C)c1
InChIInChI=1S/C31H32N2O4S/c1-23-18-24(2)31(25(3)19-23)38(35,36)33(20-26-10-6-4-7-11-26)21-30(34)32-28-14-16-29(17-15-28)37-22-27-12-8-5-9-13-27/h4-19H,20-22H2,1-3H3,(H,32,34)
InChIKeyKTHOWYYVIMQGOY-UHFFFAOYSA-N
XLogP6.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.67
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 21373137
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126062120
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 126063500
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126069995
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 126068356) is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)Cc2ccccc2)c(C)c1.
What is the InChIKey of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is KTHOWYYVIMQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4S/c1-23-18-24(2)31(25(3)19-23)38(35,36)33(20-26-10-6-4-7-11-26)21-30(34)32-28-14-16-29(17-15-28)37-22-27-12-8-5-9-13-27/h4-19H,20-22H2,1-3H3,(H,32,34).
What are the key properties of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 528.67 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 126068356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).