methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

C16H21N2O4S+ — CID 8810381

IUPACmethyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C16H20N2O4S/c1-12-7-8-14(22-12)10-18(2)11-16(19)17-13-5-4-6-15(9-13)23(3,20)21/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyUIONJWUYJVZODB-UHFFFAOYSA-O
MW337.42 g/mol
LogP0.64
Rot. Bonds6

About methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 8810381) has the molecular formula C16H21N2O4S+ and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namemethyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID8810381
Molecular FormulaC16H21N2O4S+
Molecular Weight337.42 g/mol
Exact Mass337.12
IUPAC Namemethyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C16H20N2O4S/c1-12-7-8-14(22-12)10-18(2)11-16(19)17-13-5-4-6-15(9-13)23(3,20)21/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1
InChIKeyUIONJWUYJVZODB-UHFFFAOYSA-O
XLogP0.64
TPSA80.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8621091
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804558
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102886
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595928
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 7999044
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9102772
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
N-(3-methylsulfonylphenyl)butanamide
CID 37391541

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (CID 8810381) is methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is Cc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)o1.
What is the InChIKey of methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is UIONJWUYJVZODB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2O4S/c1-12-7-8-14(22-12)10-18(2)11-16(19)17-13-5-4-6-15(9-13)23(3,20)21/h4-9H,10-11H2,1-3H3,(H,17,19)/p+1.
What are the key properties of methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 337.42 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-methylfuran-2-yl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8810381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).