(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide

C18H24N4O3S — CID 19579633

IUPAC(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(CC)c2C)cc1
InChIInChI=1S/C18H24N4O3S/c1-5-19-26(24,25)16-9-7-15(8-10-16)20-18(23)12-11-17-13(3)21-22(6-2)14(17)4/h7-12,19H,5-6H2,1-4H3,(H,20,23)/b12-11+
InChIKeyLHZOTHHMQQAZAF-VAWYXSNFSA-N
MW376.48 g/mol
LogP2.47
Rot. Bonds7

About (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide

(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 19579633) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID19579633
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(CC)c2C)cc1
InChIInChI=1S/C18H24N4O3S/c1-5-19-26(24,25)16-9-7-15(8-10-16)20-18(23)12-11-17-13(3)21-22(6-2)14(17)4/h7-12,19H,5-6H2,1-4H3,(H,20,23)/b12-11+
InChIKeyLHZOTHHMQQAZAF-VAWYXSNFSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide (CID 19579633) is (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide is CCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(CC)c2C)cc1.
What is the InChIKey of (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is LHZOTHHMQQAZAF-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-5-19-26(24,25)16-9-7-15(8-10-16)20-18(23)12-11-17-13(3)21-22(6-2)14(17)4/h7-12,19H,5-6H2,1-4H3,(H,20,23)/b12-11+.
What are the key properties of (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 376.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(ethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 19579633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).