3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H17N5O4S2 — CID 71717406

IUPAC3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1
InChIInChI=1S/C20H17N5O4S2/c1-13-12-25(20(26)23-13)15-2-4-16(5-3-15)29-18-7-6-17(10-14(18)11-21)31(27,28)24-19-22-8-9-30-19/h2-10,13H,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyKWNPOGMZAPAXHI-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.53
Rot. Bonds6

About 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71717406) has the molecular formula C20H17N5O4S2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71717406
Molecular FormulaC20H17N5O4S2
Molecular Weight455.52 g/mol
Exact Mass455.07
IUPAC Name3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1
InChIInChI=1S/C20H17N5O4S2/c1-13-12-25(20(26)23-13)15-2-4-16(5-3-15)29-18-7-6-17(10-14(18)11-21)31(27,28)24-19-22-8-9-30-19/h2-10,13H,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyKWNPOGMZAPAXHI-UHFFFAOYSA-N
XLogP3.53
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.53
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-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71717406) is 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC1CN(c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)C(=O)N1.
What is the InChIKey of 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KWNPOGMZAPAXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S2/c1-13-12-25(20(26)23-13)15-2-4-16(5-3-15)29-18-7-6-17(10-14(18)11-21)31(27,28)24-19-22-8-9-30-19/h2-10,13H,12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 455.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[4-(4-methyl-2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71717406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).