methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate

C22H21NO6S — CID 6212336

IUPACmethyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(c2ccc(OC)cc2)S(=O)(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C22H21NO6S/c1-27-19-10-8-18(9-11-19)23(16-20-12-13-21(29-20)22(24)28-2)30(25,26)15-14-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3/b15-14+
InChIKeyJUAHNIUGOVNKHZ-CCEZHUSRSA-N
MW427.48 g/mol
LogP4.08
Rot. Bonds8

About methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate

methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate (PubChem CID 6212336) has the molecular formula C22H21NO6S and a molecular weight of 427.48 g/mol. Its IUPAC name is methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate
PubChem CID6212336
Molecular FormulaC22H21NO6S
Molecular Weight427.48 g/mol
Exact Mass427.11
IUPAC Namemethyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(c2ccc(OC)cc2)S(=O)(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C22H21NO6S/c1-27-19-10-8-18(9-11-19)23(16-20-12-13-21(29-20)22(24)28-2)30(25,26)15-14-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3/b15-14+
InChIKeyJUAHNIUGOVNKHZ-CCEZHUSRSA-N
XLogP4.08
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
CID 2097234
N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
CID 30883132
N-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylethenesulfonamide
CID 4780611
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl 5-(benzylsulfonylmethyl)furan-2-carboxylate
CID 127244389
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
methyl 2-[[pentyl(2-phenylethenylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3637650
methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2587918
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate (CID 6212336) is methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(c2ccc(OC)cc2)S(=O)(=O)/C=C/c2ccccc2)o1.
What is the InChIKey of methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate?
The InChIKey is JUAHNIUGOVNKHZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H21NO6S/c1-27-19-10-8-18(9-11-19)23(16-20-12-13-21(29-20)22(24)28-2)30(25,26)15-14-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3/b15-14+.
What are the key properties of methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate?
methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate has a molecular weight of 427.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 6212336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).