(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C24H26N4O5S — CID 2092858

IUPAC(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H26N4O5S/c1-18-23(24(30)28(26(18)2)20-6-4-3-5-7-20)25-22(29)13-10-19-8-11-21(12-9-19)34(31,32)27-14-16-33-17-15-27/h3-13H,14-17H2,1-2H3,(H,25,29)/b13-10+
InChIKeyYOLSRHWFMQITFQ-JLHYYAGUSA-N
MW482.56 g/mol
LogP2.16
Rot. Bonds6

About (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 2092858) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID2092858
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H26N4O5S/c1-18-23(24(30)28(26(18)2)20-6-4-3-5-7-20)25-22(29)13-10-19-8-11-21(12-9-19)34(31,32)27-14-16-33-17-15-27/h3-13H,14-17H2,1-2H3,(H,25,29)/b13-10+
InChIKeyYOLSRHWFMQITFQ-JLHYYAGUSA-N
XLogP2.16
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2088319
N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4968867
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
2-{Benzyl-[4-(morpholine-4-sulfonyl)-benzenesulfonyl]-amino}-N-phenyl-acetamide
CID 1435689
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(dipropylamino)sulfonyl]benzamide
CID 2311705
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2329908
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 2092858) is (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is Cc1c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is YOLSRHWFMQITFQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-18-23(24(30)28(26(18)2)20-6-4-3-5-7-20)25-22(29)13-10-19-8-11-21(12-9-19)34(31,32)27-14-16-33-17-15-27/h3-13H,14-17H2,1-2H3,(H,25,29)/b13-10+.
What are the key properties of (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 482.56 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 2092858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).