1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea

C25H26N2O3S — CID 22750888

IUPAC1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
SMILESC/C(=C\S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H26N2O3S/c1-19(2)21-14-16-22(17-15-21)20(3)18-31(29,30)26-25(28)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19H,1-3H3,(H,26,28)/b20-18+
InChIKeyPGKFOWSIXWDRQR-CZIZESTLSA-N
MW434.56 g/mol
LogP6.05
Rot. Bonds6

About 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea

1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea (PubChem CID 22750888) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea.

Molecular Properties

Compound Name1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
PubChem CID22750888
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
SMILESC/C(=C\S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H26N2O3S/c1-19(2)21-14-16-22(17-15-21)20(3)18-31(29,30)26-25(28)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19H,1-3H3,(H,26,28)/b20-18+
InChIKeyPGKFOWSIXWDRQR-CZIZESTLSA-N
XLogP6.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
CID 22750964
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
CID 22751109
1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
CID 54322426
benzene;1,1-diphenyl-3-propan-2-ylurea
CID 70614789
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
acetic acid;cumene
CID 172767405
N-[4-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8828563
N-phenyl-N-(4-prop-1-en-2-ylphenyl)acetamide
CID 177099731
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
4-(N-acetylanilino)benzoic acid
CID 138332806
phenyl-[4-[2-(4-propan-2-ylphenyl)prop-1-enyl]morpholin-4-ium-4-yl]methanone
CID 54360427
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea?
The IUPAC name of 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea (CID 22750888) is 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea.
What is the SMILES notation for 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea?
The canonical SMILES for 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea is C/C(=C\S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea?
The InChIKey is PGKFOWSIXWDRQR-CZIZESTLSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19(2)21-14-16-22(17-15-21)20(3)18-31(29,30)26-25(28)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19H,1-3H3,(H,26,28)/b20-18+.
What are the key properties of 1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea?
1,1-diphenyl-3-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea has a molecular weight of 434.56 g/mol, XLogP of 6.05, 6 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)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea is sourced from PubChem (CID 22750888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).