2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide

C25H34N2O5S — CID 133240630

IUPAC2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H34N2O5S/c1-19(32-22-9-7-20(8-10-22)25(2,3)4)24(28)26-15-18-31-21-11-13-23(14-12-21)33(29,30)27-16-5-6-17-27/h7-14,19H,5-6,15-18H2,1-4H3,(H,26,28)
InChIKeyPOAVMHNKESQKDL-UHFFFAOYSA-N
MW474.62 g/mol
LogP3.73
Rot. Bonds9

About 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide

2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide (PubChem CID 133240630) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
PubChem CID133240630
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H34N2O5S/c1-19(32-22-9-7-20(8-10-22)25(2,3)4)24(28)26-15-18-31-21-11-13-23(14-12-21)33(29,30)27-16-5-6-17-27/h7-14,19H,5-6,15-18H2,1-4H3,(H,26,28)
InChIKeyPOAVMHNKESQKDL-UHFFFAOYSA-N
XLogP3.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.73
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-(3-methylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240632
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 26075032
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133234750
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
(3S)-N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125084362
N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133252137
N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133185593
(2S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100561256
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide (CID 133240630) is 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
The InChIKey is POAVMHNKESQKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-19(32-22-9-7-20(8-10-22)25(2,3)4)24(28)26-15-18-31-21-11-13-23(14-12-21)33(29,30)27-16-5-6-17-27/h7-14,19H,5-6,15-18H2,1-4H3,(H,26,28).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide has a molecular weight of 474.62 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133240630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).