2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide

C22H30N2O4S — CID 51866671

IUPAC2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C22H30N2O4S/c1-3-27-20-11-10-18(2)16-22(20)29(25,26)23-12-7-13-24-14-15-28-21(17-24)19-8-5-4-6-9-19/h4-6,8-11,16,21,23H,3,7,12-15,17H2,1-2H3/t21-/m0/s1
InChIKeyIMEADAOLRVPAFJ-NRFANRHFSA-N
MW418.56 g/mol
LogP3.14
Rot. Bonds9

About 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide

2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide (PubChem CID 51866671) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
PubChem CID51866671
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C22H30N2O4S/c1-3-27-20-11-10-18(2)16-22(20)29(25,26)23-12-7-13-24-14-15-28-21(17-24)19-8-5-4-6-9-19/h4-6,8-11,16,21,23H,3,7,12-15,17H2,1-2H3/t21-/m0/s1
InChIKeyIMEADAOLRVPAFJ-NRFANRHFSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.14
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-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
CID 16895275
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide (CID 51866671) is 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NCCCN1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
The InChIKey is IMEADAOLRVPAFJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-3-27-20-11-10-18(2)16-22(20)29(25,26)23-12-7-13-24-14-15-28-21(17-24)19-8-5-4-6-9-19/h4-6,8-11,16,21,23H,3,7,12-15,17H2,1-2H3/t21-/m0/s1.
What are the key properties of 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide?
2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 51866671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).