(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide

C24H19FN2O5S — CID 55978941

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H19FN2O5S/c25-19-8-4-5-9-22(19)33(30,31)27-20(14-16-6-2-1-3-7-16)24(29)26-18-11-12-21-17(15-18)10-13-23(28)32-21/h1-13,15,20,27H,14H2,(H,26,29)/t20-/m0/s1
InChIKeyHEKWUQBLTRLTFM-FQEVSTJZSA-N
MW466.49 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide (PubChem CID 55978941) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide
PubChem CID55978941
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H19FN2O5S/c25-19-8-4-5-9-22(19)33(30,31)27-20(14-16-6-2-1-3-7-16)24(29)26-18-11-12-21-17(15-18)10-13-23(28)32-21/h1-13,15,20,27H,14H2,(H,26,29)/t20-/m0/s1
InChIKeyHEKWUQBLTRLTFM-FQEVSTJZSA-N
XLogP3.46
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide (CID 55978941) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide is O=C(Nc1ccc2oc(=O)ccc2c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide?
The InChIKey is HEKWUQBLTRLTFM-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c25-19-8-4-5-9-22(19)33(30,31)27-20(14-16-6-2-1-3-7-16)24(29)26-18-11-12-21-17(15-18)10-13-23(28)32-21/h1-13,15,20,27H,14H2,(H,26,29)/t20-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide has a molecular weight of 466.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-oxochromen-6-yl)-3-phenylpropanamide is sourced from PubChem (CID 55978941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).