(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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Related Compounds

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-fluorophenyl)prop-2-enamide
CID 832036
N-(2,3-dihydro-1H-inden-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
CID 1235941
(E)-N-(4-ethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26697174
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 134036405
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 3539100
(E)-N-(4-anilinophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 51112475
(E)-N-(4-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26288862
(E)-N-(4-acetamidophenyl)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enamide
CID 26908817
3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 4932632
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
(E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-[4-(cyanomethyl)phenyl]prop-2-enamide
CID 27163435
(E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 55484568

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).