[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium

C19H23F2N2OS+ — CID 9045154

IUPAC[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccc(SC(F)F)cc2)c(C)c1
InChIInChI=1S/C19H22F2N2OS/c1-13-4-5-15(14(2)10-13)11-23(3)12-18(24)22-16-6-8-17(9-7-16)25-19(20)21/h4-10,19H,11-12H2,1-3H3,(H,22,24)/p+1
InChIKeyWQTQUMHOEAWSQC-UHFFFAOYSA-O
MW365.47 g/mol
LogP3.27
Rot. Bonds7

About [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium (PubChem CID 9045154) has the molecular formula C19H23F2N2OS+ and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
PubChem CID9045154
Molecular FormulaC19H23F2N2OS+
Molecular Weight365.47 g/mol
Exact Mass365.15
IUPAC Name[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2ccc(SC(F)F)cc2)c(C)c1
InChIInChI=1S/C19H22F2N2OS/c1-13-4-5-15(14(2)10-13)11-23(3)12-18(24)22-16-6-8-17(9-7-16)25-19(20)21/h4-10,19H,11-12H2,1-3H3,(H,22,24)/p+1
InChIKeyWQTQUMHOEAWSQC-UHFFFAOYSA-O
XLogP3.27
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698955
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2451609
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045612
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555751
(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8695667
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7944860
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium (CID 9045154) is [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium is Cc1ccc(C[NH+](C)CC(=O)Nc2ccc(SC(F)F)cc2)c(C)c1.
What is the InChIKey of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The InChIKey is WQTQUMHOEAWSQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22F2N2OS/c1-13-4-5-15(14(2)10-13)11-23(3)12-18(24)22-16-6-8-17(9-7-16)25-19(20)21/h4-10,19H,11-12H2,1-3H3,(H,22,24)/p+1.
What are the key properties of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium has a molecular weight of 365.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 9045154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).