(2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one

C24H20N2OS — CID 25266860

IUPAC(2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one
SMILESO=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](Nc1ccccn1)c1cccs1
InChIInChI=1S/C24H20N2OS/c27-24(19-12-5-2-6-13-19)22(18-10-3-1-4-11-18)23(20-14-9-17-28-20)26-21-15-7-8-16-25-21/h1-17,22-23H,(H,25,26)/t22-,23-/m0/s1
InChIKeyJXQGXHKFZPCZQY-GOTSBHOMSA-N
MW384.50 g/mol
LogP5.96
Rot. Bonds7

About (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one

(2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one (PubChem CID 25266860) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one
PubChem CID25266860
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name(2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one
SMILESO=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](Nc1ccccn1)c1cccs1
InChIInChI=1S/C24H20N2OS/c27-24(19-12-5-2-6-13-19)22(18-10-3-1-4-11-18)23(20-14-9-17-28-20)26-21-15-7-8-16-25-21/h1-17,22-23H,(H,25,26)/t22-,23-/m0/s1
InChIKeyJXQGXHKFZPCZQY-GOTSBHOMSA-N
XLogP5.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one (CID 25266860) is (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one is O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](Nc1ccccn1)c1cccs1.
What is the InChIKey of (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one?
The InChIKey is JXQGXHKFZPCZQY-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H20N2OS/c27-24(19-12-5-2-6-13-19)22(18-10-3-1-4-11-18)23(20-14-9-17-28-20)26-21-15-7-8-16-25-21/h1-17,22-23H,(H,25,26)/t22-,23-/m0/s1.
What are the key properties of (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one?
(2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one has a molecular weight of 384.50 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,2-diphenyl-3-(pyridin-2-ylamino)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 25266860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).