3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H21N5O4S2 — CID 71716789

IUPAC3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)C1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1
InChIInChI=1S/C22H21N5O4S2/c1-14(2)19-13-27(22(28)25-19)16-3-5-17(6-4-16)31-20-8-7-18(11-15(20)12-23)33(29,30)26-21-24-9-10-32-21/h3-11,14,19H,13H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyZJMQOGZKNDOAIG-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.16
Rot. Bonds7

About 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716789) has the molecular formula C22H21N5O4S2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716789
Molecular FormulaC22H21N5O4S2
Molecular Weight483.58 g/mol
Exact Mass483.10
IUPAC Name3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)C1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1
InChIInChI=1S/C22H21N5O4S2/c1-14(2)19-13-27(22(28)25-19)16-3-5-17(6-4-16)31-20-8-7-18(11-15(20)12-23)33(29,30)26-21-24-9-10-32-21/h3-11,14,19H,13H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyZJMQOGZKNDOAIG-UHFFFAOYSA-N
XLogP4.16
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716789) is 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)C1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1.
What is the InChIKey of 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZJMQOGZKNDOAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S2/c1-14(2)19-13-27(22(28)25-19)16-3-5-17(6-4-16)31-20-8-7-18(11-15(20)12-23)33(29,30)26-21-24-9-10-32-21/h3-11,14,19H,13H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 483.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).