1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea

C19H24N2O5S — CID 55698825

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-13-6-9-16(27(5,23)24)11-17(13)20-19(22)21(2)12-14-7-8-15(25-3)10-18(14)26-4/h6-11H,12H2,1-5H3,(H,20,22)
InChIKeyVDDRKIYSCUTWPC-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.08
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea

1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea (PubChem CID 55698825) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea
PubChem CID55698825
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-13-6-9-16(27(5,23)24)11-17(13)20-19(22)21(2)12-14-7-8-15(25-3)10-18(14)26-4/h6-11H,12H2,1-5H3,(H,20,22)
InChIKeyVDDRKIYSCUTWPC-UHFFFAOYSA-N
XLogP3.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-(2-methylsulfonylethyl)guanidine
CID 111296749
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
CID 8845928
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-1-methyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111296500
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea (CID 55698825) is 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea is COc1ccc(CN(C)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea?
The InChIKey is VDDRKIYSCUTWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-6-9-16(27(5,23)24)11-17(13)20-19(22)21(2)12-14-7-8-15(25-3)10-18(14)26-4/h6-11H,12H2,1-5H3,(H,20,22).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea?
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea has a molecular weight of 392.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(2-methyl-5-methylsulfonylphenyl)urea is sourced from PubChem (CID 55698825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).