2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide

C18H24N2O3S — CID 14179760

IUPAC2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
SMILESCOc1ccc(CC(C)NC(C)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-13(20-14(2)16-7-5-4-6-8-16)11-15-9-10-17(23-3)18(12-15)24(19,21)22/h4-10,12-14,20H,11H2,1-3H3,(H2,19,21,22)
InChIKeyXRWQXURPDHPHTH-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.62
Rot. Bonds7

About 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide

2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide (PubChem CID 14179760) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
PubChem CID14179760
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
SMILESCOc1ccc(CC(C)NC(C)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-13(20-14(2)16-7-5-4-6-8-16)11-15-9-10-17(23-3)18(12-15)24(19,21)22/h4-10,12-14,20H,11H2,1-3H3,(H2,19,21,22)
InChIKeyXRWQXURPDHPHTH-UHFFFAOYSA-N
XLogP2.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 25268876
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
CID 118527249
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide (CID 14179760) is 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide is COc1ccc(CC(C)NC(C)c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide?
The InChIKey is XRWQXURPDHPHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13(20-14(2)16-7-5-4-6-8-16)11-15-9-10-17(23-3)18(12-15)24(19,21)22/h4-10,12-14,20H,11H2,1-3H3,(H2,19,21,22).
What are the key properties of 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide?
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 14179760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).