1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea

C22H20N2O3S — CID 54322426

IUPAC1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
SMILESCC(=Cc1ccccc1)S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O3S/c1-18(17-19-11-5-2-6-12-19)28(26,27)23-22(25)24(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H,23,25)
InChIKeySSOBTDMVHPEHCW-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.93
Rot. Bonds5

About 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea

1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea (PubChem CID 54322426) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea.

Molecular Properties

Compound Name1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
PubChem CID54322426
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
SMILESCC(=Cc1ccccc1)S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O3S/c1-18(17-19-11-5-2-6-12-19)28(26,27)23-22(25)24(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H,23,25)
InChIKeySSOBTDMVHPEHCW-UHFFFAOYSA-N
XLogP4.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.93
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
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CID 54069100
2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide
CID 69432024
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
CID 22751109
N-[(E)-1-phenylprop-1-en-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 134098466
1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
CID 70606854
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
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
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea
CID 21285450

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea?
The IUPAC name of 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea (CID 54322426) is 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea.
What is the SMILES notation for 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea?
The canonical SMILES for 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea is CC(=Cc1ccccc1)S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea?
The InChIKey is SSOBTDMVHPEHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-18(17-19-11-5-2-6-12-19)28(26,27)23-22(25)24(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H,23,25).
What are the key properties of 1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea?
1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea has a molecular weight of 392.48 g/mol, XLogP of 4.93, 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-(1-phenylprop-1-en-2-ylsulfonyl)urea is sourced from PubChem (CID 54322426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).