3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C20H26N2O5S — CID 46462462

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NC3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C20H26N2O5S/c1-26-17-5-3-15(4-6-17)19-9-7-18(27-19)8-10-20(23)21-16-11-13-22(14-12-16)28(2,24)25/h3-7,9,16H,8,10-14H2,1-2H3,(H,21,23)
InChIKeyUPYHZYORQNNIQD-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.43
Rot. Bonds7

About 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide

3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 46462462) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID46462462
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NC3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C20H26N2O5S/c1-26-17-5-3-15(4-6-17)19-9-7-18(27-19)8-10-20(23)21-16-11-13-22(14-12-16)28(2,24)25/h3-7,9,16H,8,10-14H2,1-2H3,(H,21,23)
InChIKeyUPYHZYORQNNIQD-UHFFFAOYSA-N
XLogP2.43
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
CID 55909333
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 55572146
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 55949747
3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 26010955
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 24524853
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
CID 56811975
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 46462462) is 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide is COc1ccc(-c2ccc(CCC(=O)NC3CCN(S(C)(=O)=O)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is UPYHZYORQNNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-26-17-5-3-15(4-6-17)19-9-7-18(27-19)8-10-20(23)21-16-11-13-22(14-12-16)28(2,24)25/h3-7,9,16H,8,10-14H2,1-2H3,(H,21,23).
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 46462462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).