3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C25H27FN2O5S — CID 46628965

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C25H27FN2O5S/c1-32-24-13-11-19(34(30,31)28-15-5-2-6-16-28)17-22(24)27-25(29)14-10-18-9-12-23(33-18)20-7-3-4-8-21(20)26/h3-4,7-9,11-13,17H,2,5-6,10,14-16H2,1H3,(H,27,29)
InChIKeyNRNKTNYXYNEKMI-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.84
Rot. Bonds8

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 46628965) has the molecular formula C25H27FN2O5S and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID46628965
Molecular FormulaC25H27FN2O5S
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C25H27FN2O5S/c1-32-24-13-11-19(34(30,31)28-15-5-2-6-16-28)17-22(24)27-25(29)14-10-18-9-12-23(33-18)20-7-3-4-8-21(20)26/h3-4,7-9,11-13,17H,2,5-6,10,14-16H2,1H3,(H,27,29)
InChIKeyNRNKTNYXYNEKMI-UHFFFAOYSA-N
XLogP4.84
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24636041
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27445409
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 46628965) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NRNKTNYXYNEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O5S/c1-32-24-13-11-19(34(30,31)28-15-5-2-6-16-28)17-22(24)27-25(29)14-10-18-9-12-23(33-18)20-7-3-4-8-21(20)26/h3-4,7-9,11-13,17H,2,5-6,10,14-16H2,1H3,(H,27,29).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 486.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 46628965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).