1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea

C24H24N2O4S — CID 22751109

IUPAC1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
SMILESCC(C)Oc1cccc(/C=C/S(=O)(=O)NC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4S/c1-19(2)30-23-15-9-10-20(18-23)16-17-31(28,29)25-24(27)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H,1-2H3,(H,25,27)/b17-16+
InChIKeyFUJTWOTUNRBIJD-WUKNDPDISA-N
MW436.53 g/mol
LogP5.32
Rot. Bonds7

About 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea

1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea (PubChem CID 22751109) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea.

Molecular Properties

Compound Name1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
PubChem CID22751109
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
SMILESCC(C)Oc1cccc(/C=C/S(=O)(=O)NC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4S/c1-19(2)30-23-15-9-10-20(18-23)16-17-31(28,29)25-24(27)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H,1-2H3,(H,25,27)/b17-16+
InChIKeyFUJTWOTUNRBIJD-WUKNDPDISA-N
XLogP5.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-1-(3-propan-2-yloxyphenyl)-1-propylurea
CID 22751037
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
methyl 2-(2-phenylethenylsulfonylcarbamoylamino)propanoate
CID 54315961
1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
CID 22750888
1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene
CID 162347407
2-(2-methylpropyl)-N-[(E)-2-phenylethenyl]sulfonyl-N'-propan-2-yl-N'-pyridin-3-ylpropanediamide
CID 68507088
N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide
CID 21406576
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
4-[methyl-[3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 91943223
(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103091447
2,2-dimethyl-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 68504147

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea?
The IUPAC name of 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea (CID 22751109) is 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea.
What is the SMILES notation for 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea?
The canonical SMILES for 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea is CC(C)Oc1cccc(/C=C/S(=O)(=O)NC(=O)N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea?
The InChIKey is FUJTWOTUNRBIJD-WUKNDPDISA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-19(2)30-23-15-9-10-20(18-23)16-17-31(28,29)25-24(27)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H,1-2H3,(H,25,27)/b17-16+.
What are the key properties of 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea?
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea has a molecular weight of 436.53 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea is sourced from PubChem (CID 22751109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).