methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate

C21H20FNO6S — CID 38829000

IUPACmethyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN(c2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C21H20FNO6S/c1-14-12-16(29-20(14)21(24)28-3)13-23(18-6-4-5-7-19(18)27-2)30(25,26)17-10-8-15(22)9-11-17/h4-12H,13H2,1-3H3
InChIKeyWWRFCBWUGZGOKP-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.92
Rot. Bonds7

About methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate

methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate (PubChem CID 38829000) has the molecular formula C21H20FNO6S and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate
PubChem CID38829000
Molecular FormulaC21H20FNO6S
Molecular Weight433.46 g/mol
Exact Mass433.10
IUPAC Namemethyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN(c2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C21H20FNO6S/c1-14-12-16(29-20(14)21(24)28-3)13-23(18-6-4-5-7-19(18)27-2)30(25,26)17-10-8-15(22)9-11-17/h4-12H,13H2,1-3H3
InChIKeyWWRFCBWUGZGOKP-UHFFFAOYSA-N
XLogP3.92
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
CID 2671799
4-fluoro-N-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24623442
N-(2-chloro-4-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 52891332
N-[(3-fluoro-4-methylphenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 24581755
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
CID 30232749
N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 30232771
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78839418
(2S)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100578338
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033443
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 53280467

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate (CID 38829000) is methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN(c2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate?
The InChIKey is WWRFCBWUGZGOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO6S/c1-14-12-16(29-20(14)21(24)28-3)13-23(18-6-4-5-7-19(18)27-2)30(25,26)17-10-8-15(22)9-11-17/h4-12H,13H2,1-3H3.
What are the key properties of methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate?
methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate has a molecular weight of 433.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 38829000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).