4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide

C22H25FN2O5S — CID 24636041

IUPAC4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O5S/c1-30-21-11-9-18(31(28,29)25-13-3-2-4-14-25)15-19(21)24-22(27)12-10-20(26)16-5-7-17(23)8-6-16/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,24,27)
InChIKeyAQWKGUQKESOMCE-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.61
Rot. Bonds8

About 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide (PubChem CID 24636041) has the molecular formula C22H25FN2O5S and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
PubChem CID24636041
Molecular FormulaC22H25FN2O5S
Molecular Weight448.52 g/mol
Exact Mass448.15
IUPAC Name4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O5S/c1-30-21-11-9-18(31(28,29)25-13-3-2-4-14-25)15-19(21)24-22(27)12-10-20(26)16-5-7-17(23)8-6-16/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,24,27)
InChIKeyAQWKGUQKESOMCE-UHFFFAOYSA-N
XLogP3.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 38010315
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
2-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 167757415
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-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide (CID 24636041) is 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide?
The InChIKey is AQWKGUQKESOMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5S/c1-30-21-11-9-18(31(28,29)25-13-3-2-4-14-25)15-19(21)24-22(27)12-10-20(26)16-5-7-17(23)8-6-16/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide has a molecular weight of 448.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide is sourced from PubChem (CID 24636041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).