N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide

C21H26N2O6S — CID 133234857

IUPACN-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-17(29-19-5-3-2-4-6-19)21(24)22-11-14-28-18-7-9-20(10-8-18)30(25,26)23-12-15-27-16-13-23/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeyMHQMTIOKBYCGGA-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.67
Rot. Bonds9

About N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide

N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide (PubChem CID 133234857) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
PubChem CID133234857
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-17(29-19-5-3-2-4-6-19)21(24)22-11-14-28-18-7-9-20(10-8-18)30(25,26)23-12-15-27-16-13-23/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeyMHQMTIOKBYCGGA-UHFFFAOYSA-N
XLogP1.67
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
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
2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240630
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
(2S)-N-carbamoyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332160
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide
CID 133234913
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide (CID 133234857) is N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide?
The InChIKey is MHQMTIOKBYCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-17(29-19-5-3-2-4-6-19)21(24)22-11-14-28-18-7-9-20(10-8-18)30(25,26)23-12-15-27-16-13-23/h2-10,17H,11-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide?
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide has a molecular weight of 434.51 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 133234857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).