(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

C20H18N4O3S — CID 1314273

IUPAC(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H18N4O3S/c1-15(14-16-6-3-2-4-7-16)19(25)23-17-8-10-18(11-9-17)28(26,27)24-20-21-12-5-13-22-20/h2-14H,1H3,(H,23,25)(H,21,22,24)/b15-14-
InChIKeyYNRFQOPGISOSGI-PFONDFGASA-N
MW394.46 g/mol
LogP3.32
Rot. Bonds6

About (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 1314273) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID1314273
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H18N4O3S/c1-15(14-16-6-3-2-4-7-16)19(25)23-17-8-10-18(11-9-17)28(26,27)24-20-21-12-5-13-22-20/h2-14H,1H3,(H,23,25)(H,21,22,24)/b15-14-
InChIKeyYNRFQOPGISOSGI-PFONDFGASA-N
XLogP3.32
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.32
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

2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
(Z)-3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]but-2-enamide
CID 135909652
(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1305015
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 1314273) is (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is C/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is YNRFQOPGISOSGI-PFONDFGASA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-15(14-16-6-3-2-4-7-16)19(25)23-17-8-10-18(11-9-17)28(26,27)24-20-21-12-5-13-22-20/h2-14H,1H3,(H,23,25)(H,21,22,24)/b15-14-.
What are the key properties of (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 394.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1314273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).