2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide

C26H36N2O5S — CID 133234750

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C26H36N2O5S/c1-19(2)24-13-8-20(3)18-25(24)33-21(4)26(29)27-14-17-32-22-9-11-23(12-10-22)34(30,31)28-15-6-5-7-16-28/h8-13,18-19,21H,5-7,14-17H2,1-4H3,(H,27,29)
InChIKeyMUNLBTTZDUWXCL-UHFFFAOYSA-N
MW488.65 g/mol
LogP4.26
Rot. Bonds10

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide (PubChem CID 133234750) has the molecular formula C26H36N2O5S and a molecular weight of 488.65 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
PubChem CID133234750
Molecular FormulaC26H36N2O5S
Molecular Weight488.65 g/mol
Exact Mass488.23
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C26H36N2O5S/c1-19(2)24-13-8-20(3)18-25(24)33-21(4)26(29)27-14-17-32-22-9-11-23(12-10-22)34(30,31)28-15-6-5-7-16-28/h8-13,18-19,21H,5-7,14-17H2,1-4H3,(H,27,29)
InChIKeyMUNLBTTZDUWXCL-UHFFFAOYSA-N
XLogP4.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234915
2-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240632
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133185590
2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240630
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244713
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 125071297
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240716
2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4944790
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide (CID 133234750) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The InChIKey is MUNLBTTZDUWXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5S/c1-19(2)24-13-8-20(3)18-25(24)33-21(4)26(29)27-14-17-32-22-9-11-23(12-10-22)34(30,31)28-15-6-5-7-16-28/h8-13,18-19,21H,5-7,14-17H2,1-4H3,(H,27,29).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide has a molecular weight of 488.65 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133234750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).