(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol

C23H25NO2S — CID 53494981

IUPAC(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
SMILESCOc1ccc(C(SC[C@H](N)CO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m1/s1
InChIKeyWKYHDWRETJHQFE-OAQYLSRUSA-N
MW379.53 g/mol
LogP4.04
Rot. Bonds8

About (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol

(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol (PubChem CID 53494981) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
PubChem CID53494981
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
SMILESCOc1ccc(C(SC[C@H](N)CO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m1/s1
InChIKeyWKYHDWRETJHQFE-OAQYLSRUSA-N
XLogP4.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol?
The IUPAC name of (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol (CID 53494981) is (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol is COc1ccc(C(SC[C@H](N)CO)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol?
The InChIKey is WKYHDWRETJHQFE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol?
(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol has a molecular weight of 379.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol is sourced from PubChem (CID 53494981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).