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

C19H25N2O3S+ — CID 8695773

IUPAC(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-8-9-16(15(2)10-14)12-21(3)13-19(22)20-17-6-5-7-18(11-17)25(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1
InChIKeyZWFAKVYLJCXNFW-UHFFFAOYSA-O
MW361.49 g/mol
LogP1.36
Rot. Bonds6

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

(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 8695773) has the molecular formula C19H25N2O3S+ and a molecular weight of 361.49 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID8695773
Molecular FormulaC19H25N2O3S+
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-8-9-16(15(2)10-14)12-21(3)13-19(22)20-17-6-5-7-18(11-17)25(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1
InChIKeyZWFAKVYLJCXNFW-UHFFFAOYSA-O
XLogP1.36
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804558
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8810381
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595928
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 9072159
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (CID 8695773) is (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is Cc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is ZWFAKVYLJCXNFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3S/c1-14-8-9-16(15(2)10-14)12-21(3)13-19(22)20-17-6-5-7-18(11-17)25(4,23)24/h5-11H,12-13H2,1-4H3,(H,20,22)/p+1.
What are the key properties of (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 361.49 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8695773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).