methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate

C16H21FN2O7S — CID 56580629

IUPACmethyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F
InChIInChI=1S/C16H21FN2O7S/c1-10(2)18-27(23,24)11-5-6-13(17)12(7-11)16(22)19(8-14(20)25-3)9-15(21)26-4/h5-7,10,18H,8-9H2,1-4H3
InChIKeyDVUNBMHRFAKQDV-UHFFFAOYSA-N
MW404.42 g/mol
LogP0.30
Rot. Bonds8

About methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 56580629) has the molecular formula C16H21FN2O7S and a molecular weight of 404.42 g/mol. Its IUPAC name is methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID56580629
Molecular FormulaC16H21FN2O7S
Molecular Weight404.42 g/mol
Exact Mass404.11
IUPAC Namemethyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F
InChIInChI=1S/C16H21FN2O7S/c1-10(2)18-27(23,24)11-5-6-13(17)12(7-11)16(22)19(8-14(20)25-3)9-15(21)26-4/h5-7,10,18H,8-9H2,1-4H3
InChIKeyDVUNBMHRFAKQDV-UHFFFAOYSA-N
XLogP0.30
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55605684
methyl 3-(4-chlorophenyl)-3-[[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439490
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56523214
N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 86963141
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 90259183
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
methyl 2-bromo-5-(propan-2-ylsulfamoyl)benzoate
CID 7803480
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55606874
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 56580629) is methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F.
What is the InChIKey of methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is DVUNBMHRFAKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O7S/c1-10(2)18-27(23,24)11-5-6-13(17)12(7-11)16(22)19(8-14(20)25-3)9-15(21)26-4/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 404.42 g/mol, XLogP of 0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 56580629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).