N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide

C21H26N2O6S — CID 3354639

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C21H26N2O6S/c1-27-20-10-9-18(30(25,26)23-11-14-28-15-12-23)16-19(20)22-21(24)8-5-13-29-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,22,24)
InChIKeyKDRMBSURSRFMKT-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.51
Rot. Bonds9

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide (PubChem CID 3354639) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
PubChem CID3354639
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C21H26N2O6S/c1-27-20-10-9-18(30(25,26)23-11-14-28-15-12-23)16-19(20)22-21(24)8-5-13-29-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,22,24)
InChIKeyKDRMBSURSRFMKT-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide (CID 3354639) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
The InChIKey is KDRMBSURSRFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-20-10-9-18(30(25,26)23-11-14-28-15-12-23)16-19(20)22-21(24)8-5-13-29-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide has a molecular weight of 434.51 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 3354639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).