(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

C25H22N4O4S — CID 38018309

IUPAC(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)n1
InChIInChI=1S/C25H22N4O4S/c1-17-15-18(2)27-25(26-17)29-34(31,32)22-12-10-20(11-13-22)28-24(30)23(16-21-9-6-14-33-21)19-7-4-3-5-8-19/h3-16H,1-2H3,(H,28,30)(H,26,27,29)/b23-16+
InChIKeyVKUUUOTUASQJEP-XQNSMLJCSA-N
MW474.54 g/mol
LogP4.67
Rot. Bonds7

About (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 38018309) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID38018309
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)n1
InChIInChI=1S/C25H22N4O4S/c1-17-15-18(2)27-25(26-17)29-34(31,32)22-12-10-20(11-13-22)28-24(30)23(16-21-9-6-14-33-21)19-7-4-3-5-8-19/h3-16H,1-2H3,(H,28,30)(H,26,27,29)/b23-16+
InChIKeyVKUUUOTUASQJEP-XQNSMLJCSA-N
XLogP4.67
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.67
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-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126177677
(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126190947
N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1284903
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 21372266
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 1106551
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 38018309) is (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)n1.
What is the InChIKey of (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is VKUUUOTUASQJEP-XQNSMLJCSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-17-15-18(2)27-25(26-17)29-34(31,32)22-12-10-20(11-13-22)28-24(30)23(16-21-9-6-14-33-21)19-7-4-3-5-8-19/h3-16H,1-2H3,(H,28,30)(H,26,27,29)/b23-16+.
What are the key properties of (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 474.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 38018309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).