2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide

C22H28N2O6S — CID 16895157

IUPAC2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C22H28N2O6S/c1-28-18-10-11-19(29-2)21(15-18)31(26,27)23-12-6-9-22(25)24-13-14-30-20(16-24)17-7-4-3-5-8-17/h3-5,7-8,10-11,15,20,23H,6,9,12-14,16H2,1-2H3
InChIKeyYPPMVSGKQDDBHG-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.36
Rot. Bonds9

About 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide

2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide (PubChem CID 16895157) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
PubChem CID16895157
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C22H28N2O6S/c1-28-18-10-11-19(29-2)21(15-18)31(26,27)23-12-6-9-22(25)24-13-14-30-20(16-24)17-7-4-3-5-8-17/h3-5,7-8,10-11,15,20,23H,6,9,12-14,16H2,1-2H3
InChIKeyYPPMVSGKQDDBHG-UHFFFAOYSA-N
XLogP2.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.36
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

2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761
2-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895165
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-4-propan-2-ylbenzenesulfonamide
CID 16895203
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920
1-(2-methylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16895212
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895102
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide (CID 16895157) is 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
The InChIKey is YPPMVSGKQDDBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-18-10-11-19(29-2)21(15-18)31(26,27)23-12-6-9-22(25)24-13-14-30-20(16-24)17-7-4-3-5-8-17/h3-5,7-8,10-11,15,20,23H,6,9,12-14,16H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide has a molecular weight of 448.54 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 16895157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).