4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide

C20H23N3O5S2 — CID 67242324

IUPAC4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C20H23N3O5S2/c1-14(2)23-20(24)18(19(30(23,27)28)16-6-4-3-5-7-16)22-13-12-15-8-10-17(11-9-15)29(21,25)26/h3-11,14,22H,12-13H2,1-2H3,(H2,21,25,26)
InChIKeyJUDGPYJVUWKGIZ-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.42
Rot. Bonds7

About 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 67242324) has the molecular formula C20H23N3O5S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID67242324
Molecular FormulaC20H23N3O5S2
Molecular Weight449.55 g/mol
Exact Mass449.11
IUPAC Name4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C20H23N3O5S2/c1-14(2)23-20(24)18(19(30(23,27)28)16-6-4-3-5-7-16)22-13-12-15-8-10-17(11-9-15)29(21,25)26/h3-11,14,22H,12-13H2,1-2H3,(H2,21,25,26)
InChIKeyJUDGPYJVUWKGIZ-UHFFFAOYSA-N
XLogP1.42
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide (CID 67242324) is 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide is CC(C)N1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is JUDGPYJVUWKGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S2/c1-14(2)23-20(24)18(19(30(23,27)28)16-6-4-3-5-7-16)22-13-12-15-8-10-17(11-9-15)29(21,25)26/h3-11,14,22H,12-13H2,1-2H3,(H2,21,25,26).
What are the key properties of 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 449.55 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1,1,3-trioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 67242324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).