N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide

C26H23NO5S — CID 58824159

IUPACN-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
SMILESCc1oc(S(=O)(=O)NC(=O)Cc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23NO5S/c1-19-23(18-31-24-14-12-22(13-15-24)21-10-6-3-7-11-21)17-26(32-19)33(29,30)27-25(28)16-20-8-4-2-5-9-20/h2-15,17H,16,18H2,1H3,(H,27,28)
InChIKeyVEOJDEMUKILBML-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.88
Rot. Bonds8

About N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide

N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide (PubChem CID 58824159) has the molecular formula C26H23NO5S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
PubChem CID58824159
Molecular FormulaC26H23NO5S
Molecular Weight461.54 g/mol
Exact Mass461.13
IUPAC NameN-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
SMILESCc1oc(S(=O)(=O)NC(=O)Cc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23NO5S/c1-19-23(18-31-24-14-12-22(13-15-24)21-10-6-3-7-11-21)17-26(32-19)33(29,30)27-25(28)16-20-8-4-2-5-9-20/h2-15,17H,16,18H2,1H3,(H,27,28)
InChIKeyVEOJDEMUKILBML-UHFFFAOYSA-N
XLogP4.88
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide
CID 58824164
5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
CID 71024961
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
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
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
[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
CID 69145077
4-[(4-phenylphenoxy)methyl]-5-(trifluoromethyl)furan-2-carboxylic acid
CID 18444588
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
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

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide?
The IUPAC name of N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide (CID 58824159) is N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide.
What is the SMILES notation for N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide?
The canonical SMILES for N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide is Cc1oc(S(=O)(=O)NC(=O)Cc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide?
The InChIKey is VEOJDEMUKILBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5S/c1-19-23(18-31-24-14-12-22(13-15-24)21-10-6-3-7-11-21)17-26(32-19)33(29,30)27-25(28)16-20-8-4-2-5-9-20/h2-15,17H,16,18H2,1H3,(H,27,28).
What are the key properties of N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide?
N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide has a molecular weight of 461.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide is sourced from PubChem (CID 58824159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).