2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C18H20FN3O5S — CID 9438462

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O5S/c1-22(12-17(23)21-14-5-7-15(27-2)8-6-14)18(24)11-20-28(25,26)16-9-3-13(19)4-10-16/h3-10,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyLXPMQACRJJMOQM-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.21
Rot. Bonds8

About 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 9438462) has the molecular formula C18H20FN3O5S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID9438462
Molecular FormulaC18H20FN3O5S
Molecular Weight409.44 g/mol
Exact Mass409.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O5S/c1-22(12-17(23)21-14-5-7-15(27-2)8-6-14)18(24)11-20-28(25,26)16-9-3-13(19)4-10-16/h3-10,20H,11-12H2,1-2H3,(H,21,23)
InChIKeyLXPMQACRJJMOQM-UHFFFAOYSA-N
XLogP1.21
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 27793241
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616694
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 9438462) is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1ccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is LXPMQACRJJMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S/c1-22(12-17(23)21-14-5-7-15(27-2)8-6-14)18(24)11-20-28(25,26)16-9-3-13(19)4-10-16/h3-10,20H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 409.44 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 9438462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).