3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

C20H20N4O3S2 — CID 103599320

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NC(C)c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C20H20N4O3S2/c1-14(20-24-18(13-28-20)16-4-3-11-22-12-16)23-19(25)10-7-15-5-8-17(9-6-15)29(26,27)21-2/h3-14,21H,1-2H3,(H,23,25)
InChIKeyFZHZLGPFKNEPBZ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.00
Rot. Bonds7

About 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide (PubChem CID 103599320) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
PubChem CID103599320
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NC(C)c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C20H20N4O3S2/c1-14(20-24-18(13-28-20)16-4-3-11-22-12-16)23-19(25)10-7-15-5-8-17(9-6-15)29(26,27)21-2/h3-14,21H,1-2H3,(H,23,25)
InChIKeyFZHZLGPFKNEPBZ-UHFFFAOYSA-N
XLogP3.00
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 86936040
(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97359861
(E)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 86936041
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 86933140
(E)-3-(4-aminophenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 115344286
4-(3-cyanopropylsulfonyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 86935986
(E)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95316902
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047995
(E)-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 86938904
1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
CID 166293905
2,6-difluoro-N-[3-methyl-1-oxo-1-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-2-yl]benzamide
CID 86945599

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide (CID 103599320) is 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide is CNS(=O)(=O)c1ccc(C=CC(=O)NC(C)c2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is FZHZLGPFKNEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-14(20-24-18(13-28-20)16-4-3-11-22-12-16)23-19(25)10-7-15-5-8-17(9-6-15)29(26,27)21-2/h3-14,21H,1-2H3,(H,23,25).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide?
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 428.54 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 103599320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).