5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide

C20H28N2O5S — CID 118527249

IUPAC5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1COCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H28N2O5S/c1-4-27-18-8-6-5-7-17(18)13-26-14-22-15(2)11-16-9-10-19(25-3)20(12-16)28(21,23)24/h5-10,12,15,22H,4,11,13-14H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
InChIKeyKRRGCGASBCRNTR-OAHLLOKOSA-N
MW408.52 g/mol
LogP2.44
Rot. Bonds11

About 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide

5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 118527249) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
PubChem CID118527249
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1COCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H28N2O5S/c1-4-27-18-8-6-5-7-17(18)13-26-14-22-15(2)11-16-9-10-19(25-3)20(12-16)28(21,23)24/h5-10,12,15,22H,4,11,13-14H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
InChIKeyKRRGCGASBCRNTR-OAHLLOKOSA-N
XLogP2.44
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;4-methylbenzenesulfonic acid
CID 87844412
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
2-(2-ethoxyphenoxy)ethyl-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]azanium
CID 36688118
5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 69116507
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
5-[(2R)-1,1-dideuterio-2-[[2,2-dideuterio-2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 46841244
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide (CID 118527249) is 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide is CCOc1ccccc1COCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is KRRGCGASBCRNTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-4-27-18-8-6-5-7-17(18)13-26-14-22-15(2)11-16-9-10-19(25-3)20(12-16)28(21,23)24/h5-10,12,15,22H,4,11,13-14H2,1-3H3,(H2,21,23,24)/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide?
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 2.44, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 118527249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).