1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea

C24H26N2O3S — CID 60603619

IUPAC1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
SMILESCS(=O)(=O)Cc1ccccc1NC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)18-21-14-8-9-15-23(21)26-24(27)25-17-16-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,22H,16-18H2,1H3,(H2,25,26,27)
InChIKeyWZMKNLYHLUWOBI-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.57
Rot. Bonds8

About 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea

1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea (PubChem CID 60603619) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
PubChem CID60603619
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
SMILESCS(=O)(=O)Cc1ccccc1NC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)18-21-14-8-9-15-23(21)26-24(27)25-17-16-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,22H,16-18H2,1H3,(H2,25,26,27)
InChIKeyWZMKNLYHLUWOBI-UHFFFAOYSA-N
XLogP4.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60603578
1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603582
1-(2,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 4586942
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042
1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603716
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
1-(3,3-diphenylpropyl)-2-methyl-3-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111233814
1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 31989348

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea (CID 60603619) is 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea is CS(=O)(=O)Cc1ccccc1NC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
The InChIKey is WZMKNLYHLUWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-30(28,29)18-21-14-8-9-15-23(21)26-24(27)25-17-16-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,22H,16-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea?
1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea has a molecular weight of 422.55 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[2-(methylsulfonylmethyl)phenyl]urea is sourced from PubChem (CID 60603619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).