5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide

C23H28N2O5S — CID 55905335

IUPAC5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C23H28N2O5S/c1-30-20-13-11-18(12-14-20)22(26)9-6-10-23(27)24-19-7-5-8-21(17-19)31(28,29)25-15-3-2-4-16-25/h5,7-8,11-14,17H,2-4,6,9-10,15-16H2,1H3,(H,24,27)
InChIKeyIOLYKAIFQDYZIK-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.86
Rot. Bonds9

About 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide

5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide (PubChem CID 55905335) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
PubChem CID55905335
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C23H28N2O5S/c1-30-20-13-11-18(12-14-20)22(26)9-6-10-23(27)24-19-7-5-8-21(17-19)31(28,29)25-15-3-2-4-16-25/h5,7-8,11-14,17H,2-4,6,9-10,15-16H2,1H3,(H,24,27)
InChIKeyIOLYKAIFQDYZIK-UHFFFAOYSA-N
XLogP3.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4967233
2-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55838681
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
[2-(3-methoxyanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545175
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 27652183
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide (CID 55905335) is 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide is COc1ccc(C(=O)CCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide?
The InChIKey is IOLYKAIFQDYZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-30-20-13-11-18(12-14-20)22(26)9-6-10-23(27)24-19-7-5-8-21(17-19)31(28,29)25-15-3-2-4-16-25/h5,7-8,11-14,17H,2-4,6,9-10,15-16H2,1H3,(H,24,27).
What are the key properties of 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide?
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide has a molecular weight of 444.55 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide is sourced from PubChem (CID 55905335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).