N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide

C21H27FN4O4S — CID 24616694

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN4O4S/c1-15(2)26(4)31(29,30)19-11-9-17(10-12-19)23-13-21(28)25(3)14-20(27)24-18-7-5-16(22)6-8-18/h5-12,15,23H,13-14H2,1-4H3,(H,24,27)
InChIKeyZZOLINWRUPAAPT-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.36
Rot. Bonds9

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide (PubChem CID 24616694) has the molecular formula C21H27FN4O4S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
PubChem CID24616694
Molecular FormulaC21H27FN4O4S
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN4O4S/c1-15(2)26(4)31(29,30)19-11-9-17(10-12-19)23-13-21(28)25(3)14-20(27)24-18-7-5-16(22)6-8-18/h5-12,15,23H,13-14H2,1-4H3,(H,24,27)
InChIKeyZZOLINWRUPAAPT-UHFFFAOYSA-N
XLogP2.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438462
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
2-(3-cyanoanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 26509872
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 9200014
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide (CID 24616694) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide is CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide?
The InChIKey is ZZOLINWRUPAAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4S/c1-15(2)26(4)31(29,30)19-11-9-17(10-12-19)23-13-21(28)25(3)14-20(27)24-18-7-5-16(22)6-8-18/h5-12,15,23H,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide has a molecular weight of 450.54 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide is sourced from PubChem (CID 24616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).