(4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide

C19H19FN2O4S2 — CID 11849207

IUPAC(4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
InChIKeyZCMDOQMWCXCTGH-UHUGOGIASA-N
MW422.50 g/mol
LogP1.82
Rot. Bonds7

About (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide

(4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 11849207) has the molecular formula C19H19FN2O4S2 and a molecular weight of 422.50 g/mol. Its IUPAC name is (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID11849207
Molecular FormulaC19H19FN2O4S2
Molecular Weight422.50 g/mol
Exact Mass422.08
IUPAC Name(4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
InChIKeyZCMDOQMWCXCTGH-UHUGOGIASA-N
XLogP1.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 11849207) is (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide is O=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZCMDOQMWCXCTGH-UHUGOGIASA-N. The full InChI is InChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1.
What are the key properties of (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 11849207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).