2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide

C18H24N2O4S — CID 96869335

IUPAC2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)NCCOc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H24N2O4S/c1-14(20-10-11-24-16-6-4-3-5-7-16)12-15-8-9-17(23-2)18(13-15)25(19,21)22/h3-9,13-14,20H,10-12H2,1-2H3,(H2,19,21,22)/t14-/m1/s1
InChIKeyUERLZSSAWHCYEK-CQSZACIVSA-N
MW364.47 g/mol
LogP1.94
Rot. Bonds9

About 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide

2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide (PubChem CID 96869335) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
PubChem CID96869335
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)NCCOc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H24N2O4S/c1-14(20-10-11-24-16-6-4-3-5-7-16)12-15-8-9-17(23-2)18(13-15)25(19,21)22/h3-9,13-14,20H,10-12H2,1-2H3,(H2,19,21,22)/t14-/m1/s1
InChIKeyUERLZSSAWHCYEK-CQSZACIVSA-N
XLogP1.94
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
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
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 67896278
N-[2-(2-methoxyphenoxy)ethyl]-1-(4-methoxy-3-propan-2-ylsulfonylphenyl)propan-2-amine
CID 14676142
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;4-methylbenzenesulfonic acid
CID 87844412
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
5-[2-[4-(5-fluoro-2-methoxyphenoxy)butylamino]propyl]-2-methoxybenzenesulfonamide
CID 15034474
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
CID 118527249
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide (CID 96869335) is 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide is COc1ccc(C[C@@H](C)NCCOc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide?
The InChIKey is UERLZSSAWHCYEK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-14(20-10-11-24-16-6-4-3-5-7-16)12-15-8-9-17(23-2)18(13-15)25(19,21)22/h3-9,13-14,20H,10-12H2,1-2H3,(H2,19,21,22)/t14-/m1/s1.
What are the key properties of 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide?
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 96869335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).