furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

C15H19N2O4S+ — CID 8621091

IUPACfuran-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccco1
InChIInChI=1S/C15H18N2O4S/c1-17(10-13-6-4-8-21-13)11-15(18)16-12-5-3-7-14(9-12)22(2,19)20/h3-9H,10-11H2,1-2H3,(H,16,18)/p+1
InChIKeyRYNWFAYAVVSQCZ-UHFFFAOYSA-O
MW323.39 g/mol
LogP0.34
Rot. Bonds6

About furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 8621091) has the molecular formula C15H19N2O4S+ and a molecular weight of 323.39 g/mol. Its IUPAC name is furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID8621091
Molecular FormulaC15H19N2O4S+
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Namefuran-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccco1
InChIInChI=1S/C15H18N2O4S/c1-17(10-13-6-4-8-21-13)11-15(18)16-12-5-3-7-14(9-12)22(2,19)20/h3-9H,10-11H2,1-2H3,(H,16,18)/p+1
InChIKeyRYNWFAYAVVSQCZ-UHFFFAOYSA-O
XLogP0.34
TPSA80.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8810381
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620955
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
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
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 7995548
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620722

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (CID 8621091) is furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is C[NH+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is RYNWFAYAVVSQCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O4S/c1-17(10-13-6-4-8-21-13)11-15(18)16-12-5-3-7-14(9-12)22(2,19)20/h3-9H,10-11H2,1-2H3,(H,16,18)/p+1.
What are the key properties of furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 323.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8621091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).