(E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C21H21N3O6S2 — CID 6058527

IUPAC(E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(OC)c1OC
InChIInChI=1S/C21H21N3O6S2/c1-28-17-10-4-14(19(29-2)20(17)30-3)5-11-18(25)23-15-6-8-16(9-7-15)32(26,27)24-21-22-12-13-31-21/h4-13H,1-3H3,(H,22,24)(H,23,25)/b11-5+
InChIKeyHCGILTRHULEENJ-VZUCSPMQSA-N
MW475.55 g/mol
LogP3.62
Rot. Bonds9

About (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

(E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 6058527) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID6058527
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC Name(E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(OC)c1OC
InChIInChI=1S/C21H21N3O6S2/c1-28-17-10-4-14(19(29-2)20(17)30-3)5-11-18(25)23-15-6-8-16(9-7-15)32(26,27)24-21-22-12-13-31-21/h4-13H,1-3H3,(H,22,24)(H,23,25)/b11-5+
InChIKeyHCGILTRHULEENJ-VZUCSPMQSA-N
XLogP3.62
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4122055
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1182198
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1189511
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3559245
3-(2-methylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 72530822
3-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 72530804
3-(3-methylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 72530821
(E)-3-(3,4-dihydroxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 22918896
N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
(E)-3-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 6176689
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 6058527) is (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(OC)c1OC.
What is the InChIKey of (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is HCGILTRHULEENJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-28-17-10-4-14(19(29-2)20(17)30-3)5-11-18(25)23-15-6-8-16(9-7-15)32(26,27)24-21-22-12-13-31-21/h4-13H,1-3H3,(H,22,24)(H,23,25)/b11-5+.
What are the key properties of (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 475.55 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6058527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).