2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide

C19H24N2O5S — CID 8845928

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-21(12-14-9-10-15(25-2)11-17(14)26-3)13-19(22)20-16-7-5-6-8-18(16)27(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyYFUIRAOIZHLGEL-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.18
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 8845928) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID8845928
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-21(12-14-9-10-15(25-2)11-17(14)26-3)13-19(22)20-16-7-5-6-8-18(16)27(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyYFUIRAOIZHLGEL-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
CID 142401642
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281
N-(benzylcarbamoyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698946
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155963
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 18078781
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8622710
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide (CID 8845928) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide is COc1ccc(CN(C)CC(=O)Nc2ccccc2S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is YFUIRAOIZHLGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-21(12-14-9-10-15(25-2)11-17(14)26-3)13-19(22)20-16-7-5-6-8-18(16)27(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8845928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).