N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C22H22FN3O6S — CID 3206990

IUPACN-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O6S/c1-31-18-8-10-20(11-9-18)33(29,30)25-14-22(28)26(17-6-4-16(23)5-7-17)15-21(27)24-13-19-3-2-12-32-19/h2-12,25H,13-15H2,1H3,(H,24,27)
InChIKeyTUNQFRVPITZUPJ-UHFFFAOYSA-N
MW475.50 g/mol
LogP2.06
Rot. Bonds10

About N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 3206990) has the molecular formula C22H22FN3O6S and a molecular weight of 475.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID3206990
Molecular FormulaC22H22FN3O6S
Molecular Weight475.50 g/mol
Exact Mass475.12
IUPAC NameN-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O6S/c1-31-18-8-10-20(11-9-18)33(29,30)25-14-22(28)26(17-6-4-16(23)5-7-17)15-21(27)24-13-19-3-2-12-32-19/h2-12,25H,13-15H2,1H3,(H,24,27)
InChIKeyTUNQFRVPITZUPJ-UHFFFAOYSA-N
XLogP2.06
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207077
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 3207001
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
CID 3206862
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
N-(furan-2-ylmethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126384368
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 1318703
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438462
N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
CID 42726365
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 3206990) is N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is TUNQFRVPITZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O6S/c1-31-18-8-10-20(11-9-18)33(29,30)25-14-22(28)26(17-6-4-16(23)5-7-17)15-21(27)24-13-19-3-2-12-32-19/h2-12,25H,13-15H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 475.50 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 3206990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).