1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea

C29H35N3O3S — CID 16737306

IUPAC1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCS(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C29H35N3O3S/c1-36(34)27-14-8-13-26(23-27)30-29(33)32(18-17-31-19-21-35-22-20-31)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,30,33)
InChIKeyRTAXUUGTUDGNBZ-UHFFFAOYSA-N
MW505.68 g/mol
LogP4.81
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16737306) has the molecular formula C29H35N3O3S and a molecular weight of 505.68 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID16737306
Molecular FormulaC29H35N3O3S
Molecular Weight505.68 g/mol
Exact Mass505.24
IUPAC Name1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCS(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C29H35N3O3S/c1-36(34)27-14-8-13-26(23-27)30-29(33)32(18-17-31-19-21-35-22-20-31)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,30,33)
InChIKeyRTAXUUGTUDGNBZ-UHFFFAOYSA-N
XLogP4.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.68
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
CID 16735041
1-(3,3-diphenylpropyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 16736322
methyl 3-[[3,3-diphenylpropyl(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 69026659
3-[4-chloro-3-(3H-pyrrol-4-yl)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 70946556
3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 66845772
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea
CID 72725152
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 59499345
1-(3,3-diphenylpropyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
CID 73356416
3-(4-chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955189
1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride
CID 11955289
3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 58938069
3-(5-cyano-4-phenyl-1,3-thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 72725272

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea (CID 16737306) is 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea is CS(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is RTAXUUGTUDGNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3S/c1-36(34)27-14-8-13-26(23-27)30-29(33)32(18-17-31-19-21-35-22-20-31)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,30,33).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 505.68 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16737306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).