(2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one

C22H20NO3PS — CID 134952821

IUPAC(2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one
SMILESC[C@](NP(=O)(c1ccccc1)c1ccccc1)(c1cccs1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C22H20NO3PS/c1-22(20-13-8-16-28-20,19-14-15-21(24)26-19)23-27(25,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-16,19H,1H3,(H,23,25)/t19-,22-/m1/s1
InChIKeyNZNAGCXEJORWIX-DENIHFKCSA-N
MW409.45 g/mol
LogP3.96
Rot. Bonds6

About (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one

(2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one (PubChem CID 134952821) has the molecular formula C22H20NO3PS and a molecular weight of 409.45 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one
PubChem CID134952821
Molecular FormulaC22H20NO3PS
Molecular Weight409.45 g/mol
Exact Mass409.09
IUPAC Name(2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one
SMILESC[C@](NP(=O)(c1ccccc1)c1ccccc1)(c1cccs1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C22H20NO3PS/c1-22(20-13-8-16-28-20,19-14-15-21(24)26-19)23-27(25,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-16,19H,1H3,(H,23,25)/t19-,22-/m1/s1
InChIKeyNZNAGCXEJORWIX-DENIHFKCSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one (CID 134952821) is (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one is C[C@](NP(=O)(c1ccccc1)c1ccccc1)(c1cccs1)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one?
The InChIKey is NZNAGCXEJORWIX-DENIHFKCSA-N. The full InChI is InChI=1S/C22H20NO3PS/c1-22(20-13-8-16-28-20,19-14-15-21(24)26-19)23-27(25,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-16,19H,1H3,(H,23,25)/t19-,22-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one has a molecular weight of 409.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(diphenylphosphorylamino)-1-thiophen-2-ylethyl]-2H-furan-5-one is sourced from PubChem (CID 134952821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).