N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide

C23H26N2O2S2 — CID 3459366

IUPACN-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N=c2scc(-c3ccccc3)n2C2CCCCC2)cc1
InChIInChI=1S/C23H26N2O2S2/c1-2-18-13-15-21(16-14-18)29(26,27)24-23-25(20-11-7-4-8-12-20)22(17-28-23)19-9-5-3-6-10-19/h3,5-6,9-10,13-17,20H,2,4,7-8,11-12H2,1H3
InChIKeyRUHWSBYFSCNTOI-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.57
Rot. Bonds5

About N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide

N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide (PubChem CID 3459366) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide
PubChem CID3459366
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC NameN-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N=c2scc(-c3ccccc3)n2C2CCCCC2)cc1
InChIInChI=1S/C23H26N2O2S2/c1-2-18-13-15-21(16-14-18)29(26,27)24-23-25(20-11-7-4-8-12-20)22(17-28-23)19-9-5-3-6-10-19/h3,5-6,9-10,13-17,20H,2,4,7-8,11-12H2,1H3
InChIKeyRUHWSBYFSCNTOI-UHFFFAOYSA-N
XLogP5.57
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide (CID 3459366) is N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N=c2scc(-c3ccccc3)n2C2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide?
The InChIKey is RUHWSBYFSCNTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c1-2-18-13-15-21(16-14-18)29(26,27)24-23-25(20-11-7-4-8-12-20)22(17-28-23)19-9-5-3-6-10-19/h3,5-6,9-10,13-17,20H,2,4,7-8,11-12H2,1H3.
What are the key properties of N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide?
N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide has a molecular weight of 426.61 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 3459366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).