[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

C19H23FN3O2S+ — CID 9166307

IUPAC[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C19H22FN3O2S/c1-13-8-9-15(14(20)10-13)21-18(24)11-23(2)12-19(25)22-16-6-4-5-7-17(16)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyNLNVUVLIPLCIGV-UHFFFAOYSA-O
MW376.48 g/mol
LogP1.95
Rot. Bonds7

About [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (PubChem CID 9166307) has the molecular formula C19H23FN3O2S+ and a molecular weight of 376.48 g/mol. Its IUPAC name is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
PubChem CID9166307
Molecular FormulaC19H23FN3O2S+
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C19H22FN3O2S/c1-13-8-9-15(14(20)10-13)21-18(24)11-23(2)12-19(25)22-16-6-4-5-7-17(16)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyNLNVUVLIPLCIGV-UHFFFAOYSA-O
XLogP1.95
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049449
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9025268
2-(2-fluorophenyl)sulfanylethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8558868
methyl-[2-(4-methylphenoxy)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104878
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555751
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9105564
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2128190
methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8813949
[2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8814420

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (CID 9166307) is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is CSc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1F.
What is the InChIKey of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The InChIKey is NLNVUVLIPLCIGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22FN3O2S/c1-13-8-9-15(14(20)10-13)21-18(24)11-23(2)12-19(25)22-16-6-4-5-7-17(16)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium has a molecular weight of 376.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9166307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).