(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide

C24H25N3O5S2 — CID 55661997

IUPAC(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1OC
InChIInChI=1S/C24H25N3O5S2/c1-5-14-32-21-12-6-17(15-22(21)31-4)7-13-23(28)26-24-25-20(16-33-24)18-8-10-19(11-9-18)34(29,30)27(2)3/h5-13,15-16H,1,14H2,2-4H3,(H,25,26,28)/b13-7+
InChIKeyHQHRTTPMPGMHKL-NTUHNPAUSA-N
MW499.61 g/mol
LogP4.29
Rot. Bonds10

About (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 55661997) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID55661997
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1OC
InChIInChI=1S/C24H25N3O5S2/c1-5-14-32-21-12-6-17(15-22(21)31-4)7-13-23(28)26-24-25-20(16-33-24)18-8-10-19(11-9-18)34(29,30)27(2)3/h5-13,15-16H,1,14H2,2-4H3,(H,25,26,28)/b13-7+
InChIKeyHQHRTTPMPGMHKL-NTUHNPAUSA-N
XLogP4.29
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108756821
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 4074907
3-(3-methoxy-4-pentoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4287630
3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 3552258
3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5055721
3-(3-methoxy-4-phenylmethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4287739
(E)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 1194434
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 1194433
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2071631
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 4074908
3-(3,4-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 1179409
(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 19202843

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide (CID 55661997) is (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1OC.
What is the InChIKey of (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is HQHRTTPMPGMHKL-NTUHNPAUSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-5-14-32-21-12-6-17(15-22(21)31-4)7-13-23(28)26-24-25-20(16-33-24)18-8-10-19(11-9-18)34(29,30)27(2)3/h5-13,15-16H,1,14H2,2-4H3,(H,25,26,28)/b13-7+.
What are the key properties of (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 499.61 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).