2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

C25H20N4O3S — CID 2937591

IUPAC2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N4O3S/c30-24(23(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19)28-21-12-14-22(15-13-21)33(31,32)29-25-26-16-7-17-27-25/h1-18H,(H,28,30)(H,26,27,29)
InChIKeyZAVBDIVUZANCMA-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.46
Rot. Bonds7

About 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 2937591) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID2937591
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N4O3S/c30-24(23(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19)28-21-12-14-22(15-13-21)33(31,32)29-25-26-16-7-17-27-25/h1-18H,(H,28,30)(H,26,27,29)
InChIKeyZAVBDIVUZANCMA-UHFFFAOYSA-N
XLogP4.46
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1314273
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 38018309
1-(3-acetylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 2209520
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
(Z)-3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]but-2-enamide
CID 135909652
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 2937591) is 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is ZAVBDIVUZANCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c30-24(23(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19)28-21-12-14-22(15-13-21)33(31,32)29-25-26-16-7-17-27-25/h1-18H,(H,28,30)(H,26,27,29).
What are the key properties of 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 456.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2937591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).