(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

C19H25N2O5S+ — CID 8845921

IUPAC(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-21(12-14-8-9-16(25-2)11-18(14)26-3)13-19(22)20-15-6-5-7-17(10-15)27(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1
InChIKeyWONDKMFLLPWBOJ-UHFFFAOYSA-O
MW393.49 g/mol
LogP0.76
Rot. Bonds8

About (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 8845921) has the molecular formula C19H25N2O5S+ and a molecular weight of 393.49 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID8845921
Molecular FormulaC19H25N2O5S+
Molecular Weight393.49 g/mol
Exact Mass393.15
IUPAC Name(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-21(12-14-8-9-16(25-2)11-18(14)26-3)13-19(22)20-15-6-5-7-17(10-15)27(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1
InChIKeyWONDKMFLLPWBOJ-UHFFFAOYSA-O
XLogP0.76
TPSA86.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8810381
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101079
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698955
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8857144
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804558
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595928

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (CID 8845921) is (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is COc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is WONDKMFLLPWBOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O5S/c1-21(12-14-8-9-16(25-2)11-18(14)26-3)13-19(22)20-15-6-5-7-17(10-15)27(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 393.49 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8845921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).