4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide

C21H23N3O3S — CID 175666059

IUPAC4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCCc1ccc(/C=C2\N=C(C)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-16-4-6-18(7-5-16)14-20-21(25)24(15(2)23-20)13-12-17-8-10-19(11-9-17)28(22,26)27/h4-11,14H,3,12-13H2,1-2H3,(H2,22,26,27)/b20-14-
InChIKeyGESYVDBXYDWEOO-ZHZULCJRSA-N
MW397.50 g/mol
LogP2.74
Rot. Bonds6

About 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide

4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 175666059) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID175666059
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCCc1ccc(/C=C2\N=C(C)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-16-4-6-18(7-5-16)14-20-21(25)24(15(2)23-20)13-12-17-8-10-19(11-9-17)28(22,26)27/h4-11,14H,3,12-13H2,1-2H3,(H2,22,26,27)/b20-14-
InChIKeyGESYVDBXYDWEOO-ZHZULCJRSA-N
XLogP2.74
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide (CID 175666059) is 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide is CCc1ccc(/C=C2\N=C(C)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is GESYVDBXYDWEOO-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-16-4-6-18(7-5-16)14-20-21(25)24(15(2)23-20)13-12-17-8-10-19(11-9-17)28(22,26)27/h4-11,14H,3,12-13H2,1-2H3,(H2,22,26,27)/b20-14-.
What are the key properties of 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 175666059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).