2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide

C17H21FN2O4S — CID 51124455

IUPAC2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(C)o2)C(C)C)c1
InChIInChI=1S/C17H21FN2O4S/c1-11(2)20(10-13-6-5-12(3)24-13)17(21)15-9-14(7-8-16(15)18)25(22,23)19-4/h5-9,11,19H,10H2,1-4H3
InChIKeyXHEMIRFXVXLCTQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.69
Rot. Bonds6

About 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide

2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide (PubChem CID 51124455) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
PubChem CID51124455
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(C)o2)C(C)C)c1
InChIInChI=1S/C17H21FN2O4S/c1-11(2)20(10-13-6-5-12(3)24-13)17(21)15-9-14(7-8-16(15)18)25(22,23)19-4/h5-9,11,19H,10H2,1-4H3
InChIKeyXHEMIRFXVXLCTQ-UHFFFAOYSA-N
XLogP2.69
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 107074573
N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 55819128
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 115497521
7-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 118708600
2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56549011
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 63859047
[2-(2-methylpropylamino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085309

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide (CID 51124455) is 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(C)o2)C(C)C)c1.
What is the InChIKey of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
The InChIKey is XHEMIRFXVXLCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-11(2)20(10-13-6-5-12(3)24-13)17(21)15-9-14(7-8-16(15)18)25(22,23)19-4/h5-9,11,19H,10H2,1-4H3.
What are the key properties of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide?
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide has a molecular weight of 368.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 51124455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).