3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide

C22H23NO6S — CID 58824164

IUPAC3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide
SMILESCOCCC(=O)NS(=O)(=O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C22H23NO6S/c1-16-19(14-22(29-16)30(25,26)23-21(24)12-13-27-2)15-28-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,24)
InChIKeyPDQYLSZPYBYEJZ-UHFFFAOYSA-N
MW429.49 g/mol
LogP3.68
Rot. Bonds9

About 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide

3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide (PubChem CID 58824164) has the molecular formula C22H23NO6S and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide.

Molecular Properties

Compound Name3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide
PubChem CID58824164
Molecular FormulaC22H23NO6S
Molecular Weight429.49 g/mol
Exact Mass429.12
IUPAC Name3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide
SMILESCOCCC(=O)NS(=O)(=O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C22H23NO6S/c1-16-19(14-22(29-16)30(25,26)23-21(24)12-13-27-2)15-28-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,24)
InChIKeyPDQYLSZPYBYEJZ-UHFFFAOYSA-N
XLogP3.68
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
CID 58824159
5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
CID 71024961
4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methyl-N-thiophen-2-ylsulfonylfuran-2-carboxamide
CID 158404154
N-(benzenesulfonyl)-4-[[4-[4-(difluoromethoxy)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxamide;4-[[4-[4-(difluoromethoxy)phenyl]phenoxy]methyl]-5-methylfuran-2-carboxylic acid
CID 159041040
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
CID 69145077
dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate
CID 101373230
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
ethyl (E)-3-[4-(hydroxymethyl)-5-methylfuran-2-yl]prop-2-enoate;(E)-3-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]prop-2-enoic acid
CID 158084506
4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid
CID 18444588

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide?
The IUPAC name of 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide (CID 58824164) is 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide.
What is the SMILES notation for 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide?
The canonical SMILES for 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide is COCCC(=O)NS(=O)(=O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C)o1.
What is the InChIKey of 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide?
The InChIKey is PDQYLSZPYBYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6S/c1-16-19(14-22(29-16)30(25,26)23-21(24)12-13-27-2)15-28-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,24).
What are the key properties of 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide?
3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide has a molecular weight of 429.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide is sourced from PubChem (CID 58824164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).