1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea

C23H22N2O3S — CID 22750964

IUPAC1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
SMILESC/C(=C(/C)S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-18(20-12-6-3-7-13-20)19(2)29(27,28)24-23(26)25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3,(H,24,26)/b19-18+
InChIKeyCPRUALKDTHUHAP-VHEBQXMUSA-N
MW406.51 g/mol
LogP5.32
Rot. Bonds5

About 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea

1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea (PubChem CID 22750964) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea.

Molecular Properties

Compound Name1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
PubChem CID22750964
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
SMILESC/C(=C(/C)S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-18(20-12-6-3-7-13-20)19(2)29(27,28)24-23(26)25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3,(H,24,26)/b19-18+
InChIKeyCPRUALKDTHUHAP-VHEBQXMUSA-N
XLogP5.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
CID 54322426
1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
CID 70606854
1,2-diphenylethane-1,2-dione;2-oxo-2-(N-phenylanilino)acetic acid
CID 174668651
3-phenylbut-2-ene-2-sulfonamide
CID 54510026
1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
CID 22750888
benzene;1,1-diphenyl-3-propan-2-ylurea
CID 70614789
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
methanesulfonamidomethyl(phenyl)carbamic acid
CID 89479428
1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea
CID 21285450
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
CID 22751109
1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea
CID 22750821

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea?
The IUPAC name of 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea (CID 22750964) is 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea.
What is the SMILES notation for 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea?
The canonical SMILES for 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea is C/C(=C(/C)S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea?
The InChIKey is CPRUALKDTHUHAP-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-18(20-12-6-3-7-13-20)19(2)29(27,28)24-23(26)25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3,(H,24,26)/b19-18+.
What are the key properties of 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea?
1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea has a molecular weight of 406.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea is sourced from PubChem (CID 22750964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).