2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide

C24H24FNO5S — CID 1487527

IUPAC2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)c1
InChIInChI=1S/C24H24FNO5S/c1-29-22-5-3-4-20(14-22)16-26-32(27,28)13-12-18-8-11-23(24(15-18)30-2)31-17-19-6-9-21(25)10-7-19/h3-15,26H,16-17H2,1-2H3
InChIKeyXEOLIZHKFCRSNQ-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.51
Rot. Bonds10

About 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide

2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide (PubChem CID 1487527) has the molecular formula C24H24FNO5S and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
PubChem CID1487527
Molecular FormulaC24H24FNO5S
Molecular Weight457.52 g/mol
Exact Mass457.14
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)c1
InChIInChI=1S/C24H24FNO5S/c1-29-22-5-3-4-20(14-22)16-26-32(27,28)13-12-18-8-11-23(24(15-18)30-2)31-17-19-6-9-21(25)10-7-19/h3-15,26H,16-17H2,1-2H3
InChIKeyXEOLIZHKFCRSNQ-UHFFFAOYSA-N
XLogP4.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
CID 8802776
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27866075
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
CID 25184482
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide (CID 1487527) is 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide is COc1cccc(CNS(=O)(=O)C=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
The InChIKey is XEOLIZHKFCRSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO5S/c1-29-22-5-3-4-20(14-22)16-26-32(27,28)13-12-18-8-11-23(24(15-18)30-2)31-17-19-6-9-21(25)10-7-19/h3-15,26H,16-17H2,1-2H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide has a molecular weight of 457.52 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 1487527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).