methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium

C19H24N3O2S+ — CID 8595235

IUPACmethyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccc(SC)cc2)c1
InChIInChI=1S/C19H23N3O2S/c1-20-19(24)15-5-4-6-16(11-15)21-18(23)13-22(2)12-14-7-9-17(25-3)10-8-14/h4-11H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1
InChIKeyQXFDLNXEAYDLEP-UHFFFAOYSA-O
MW358.49 g/mol
LogP1.42
Rot. Bonds7

About methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium

methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium (PubChem CID 8595235) has the molecular formula C19H24N3O2S+ and a molecular weight of 358.49 g/mol. Its IUPAC name is methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium
PubChem CID8595235
Molecular FormulaC19H24N3O2S+
Molecular Weight358.49 g/mol
Exact Mass358.16
IUPAC Namemethyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccc(SC)cc2)c1
InChIInChI=1S/C19H23N3O2S/c1-20-19(24)15-5-4-6-16(11-15)21-18(23)13-22(2)12-14-7-9-17(25-3)10-8-14/h4-11H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1
InChIKeyQXFDLNXEAYDLEP-UHFFFAOYSA-O
XLogP1.42
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromoanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2699472
(2-anilino-2-oxoethyl)-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9199091
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123043
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003149
(5-bromothiophen-2-yl)methyl-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8971807
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8005973
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 8615093
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2699478
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2534470
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8843970
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2451609

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium?
The IUPAC name of methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium (CID 8595235) is methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium?
The canonical SMILES for methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium is CNC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccc(SC)cc2)c1.
What is the InChIKey of methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium?
The InChIKey is QXFDLNXEAYDLEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O2S/c1-20-19(24)15-5-4-6-16(11-15)21-18(23)13-22(2)12-14-7-9-17(25-3)10-8-14/h4-11H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1.
What are the key properties of methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium?
methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium has a molecular weight of 358.49 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium is sourced from PubChem (CID 8595235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).