(2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine

C23H25NO3S — CID 10960244

IUPAC(2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine
SMILESO=S(=O)(C[C@@H](COCc1ccccc1)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO3S/c25-28(26,23-14-8-3-9-15-23)19-22(24-16-20-10-4-1-5-11-20)18-27-17-21-12-6-2-7-13-21/h1-15,22,24H,16-19H2/t22-/m1/s1
InChIKeyPCQIVTMEGLXSGL-JOCHJYFZSA-N
MW395.52 g/mol
LogP3.84
Rot. Bonds10

About (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine

(2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine (PubChem CID 10960244) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine
PubChem CID10960244
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name(2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine
SMILESO=S(=O)(C[C@@H](COCc1ccccc1)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO3S/c25-28(26,23-14-8-3-9-15-23)19-22(24-16-20-10-4-1-5-11-20)18-27-17-21-12-6-2-7-13-21/h1-15,22,24H,16-19H2/t22-/m1/s1
InChIKeyPCQIVTMEGLXSGL-JOCHJYFZSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl [(benzenesulfonyl)(phenyl)methyl]carbamate
CID 12965360
4-(4-Fluorophenyl)-2,5-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidine
CID 18946586
1-ethylsulfonyl-2-(2-fluoro-4-methylphenyl)-N-methyl-3-phenylmethoxypropan-2-amine
CID 138495286
17-Fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene
CID 143753149
2-[(4-Fluorophenyl)methoxy]-6-(4-methylsulfonylphenyl)piperazine
CID 156169833
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1R)-1-phenylprop-2-enyl]benzenesulfonamide
CID 11059376
(2R,5S)-1-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethoxymethyl)-2,5-dihydropyrrole
CID 11825933
(2S,5S)-1-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethoxymethyl)-2,5-dihydropyrrole
CID 101056778
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide
CID 101056784
3-(Benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine
CID 102469430
N-benzyl-4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]benzenesulfonamide
CID 135055855
4-methyl-N-(1-phenylmethoxybut-3-en-2-yl)-N-[(1R)-1-phenylprop-2-enyl]benzenesulfonamide
CID 135056153

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine (CID 10960244) is (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine is O=S(=O)(C[C@@H](COCc1ccccc1)NCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine?
The InChIKey is PCQIVTMEGLXSGL-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25NO3S/c25-28(26,23-14-8-3-9-15-23)19-22(24-16-20-10-4-1-5-11-20)18-27-17-21-12-6-2-7-13-21/h1-15,22,24H,16-19H2/t22-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine?
(2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine has a molecular weight of 395.52 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-benzyl-3-phenylmethoxypropan-2-amine is sourced from PubChem (CID 10960244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).