[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C18H22N2O6S — CID 9017755

IUPAC[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCc1ccc(CN(C)C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C18H22N2O6S/c1-13-8-9-15(26-13)11-20(4)17(21)12-25-18(22)14-6-5-7-16(10-14)27(23,24)19(2)3/h5-10H,11-12H2,1-4H3
InChIKeyPUULQZLZSBQMHL-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.65
Rot. Bonds7

About [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 9017755) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID9017755
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCc1ccc(CN(C)C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C18H22N2O6S/c1-13-8-9-15(26-13)11-20(4)17(21)12-25-18(22)14-6-5-7-16(10-14)27(23,24)19(2)3/h5-10H,11-12H2,1-4H3
InChIKeyPUULQZLZSBQMHL-UHFFFAOYSA-N
XLogP1.65
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30563009
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009251
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 31138226
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150760
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003252
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960621
(5-methyl-1,2-oxazol-3-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 8865947
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530670
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 4538293
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 9017755) is [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is Cc1ccc(CN(C)C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1.
What is the InChIKey of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is PUULQZLZSBQMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-13-8-9-15(26-13)11-20(4)17(21)12-25-18(22)14-6-5-7-16(10-14)27(23,24)19(2)3/h5-10H,11-12H2,1-4H3.
What are the key properties of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 394.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 9017755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).