2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide

C22H27ClN2O3S — CID 46294928

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCCc1ccccc1
InChIInChI=1S/C22H27ClN2O3S/c23-20-8-10-21(11-9-20)29(27,28)25-15-12-19(13-16-25)17-22(26)24-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-17H2,(H,24,26)
InChIKeyFOGYBKNJZDRTQV-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.88
Rot. Bonds8

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 46294928) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
PubChem CID46294928
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCCc1ccccc1
InChIInChI=1S/C22H27ClN2O3S/c23-20-8-10-21(11-9-20)29(27,28)25-15-12-19(13-16-25)17-22(26)24-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-17H2,(H,24,26)
InChIKeyFOGYBKNJZDRTQV-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 50768014
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53124781
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46294824
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
N-(3-anilinopropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 56586328

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide (CID 46294928) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide is O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCCc1ccccc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is FOGYBKNJZDRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c23-20-8-10-21(11-9-20)29(27,28)25-15-12-19(13-16-25)17-22(26)24-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-17H2,(H,24,26).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide?
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 434.99 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 46294928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).