1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea

C23H22N2O3S — CID 70606854

IUPAC1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
SMILESCC/C(=C/S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-2-19(20-12-6-3-7-13-20)18-29(27,28)24-23(26)25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,2H2,1H3,(H,24,26)/b19-18-
InChIKeyZDPRQGPWQYSYLA-HNENSFHCSA-N
MW406.51 g/mol
LogP5.32
Rot. Bonds6

About 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea

1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea (PubChem CID 70606854) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea.

Molecular Properties

Compound Name1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
PubChem CID70606854
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
SMILESCC/C(=C/S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-2-19(20-12-6-3-7-13-20)18-29(27,28)24-23(26)25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,2H2,1H3,(H,24,26)/b19-18-
InChIKeyZDPRQGPWQYSYLA-HNENSFHCSA-N
XLogP5.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[(E)-2-(4-propan-2-ylphenyl)prop-1-enyl]sulfonylurea
CID 22750888
1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
CID 22750964
1,1-diphenyl-3-(1-phenylprop-1-en-2-ylsulfonyl)urea
CID 54322426
3-ethoxy-1,1-diphenylurea
CID 162373128
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
CID 22751109
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
(E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine
CID 177496995
benzene;1,1-diphenyl-3-propan-2-ylurea
CID 70614789
(E)-3-phenyl-3-(N-phenylanilino)prop-2-enoic acid
CID 175352488
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea?
The IUPAC name of 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea (CID 70606854) is 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea.
What is the SMILES notation for 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea?
The canonical SMILES for 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea is CC/C(=C/S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea?
The InChIKey is ZDPRQGPWQYSYLA-HNENSFHCSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-2-19(20-12-6-3-7-13-20)18-29(27,28)24-23(26)25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,2H2,1H3,(H,24,26)/b19-18-.
What are the key properties of 1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea?
1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea has a molecular weight of 406.51 g/mol, XLogP of 5.32, 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-[(Z)-2-phenylbut-1-enyl]sulfonylurea is sourced from PubChem (CID 70606854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).