(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea

C23H24N2OS — CID 174417066

IUPAC(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
SMILESNC(=O)NSC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2OS/c24-22(26)25-27-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,24,25,26)
InChIKeyCMURDGQWKIJFOP-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.77
Rot. Bonds8

About (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea

(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea (PubChem CID 174417066) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea.

Molecular Properties

Compound Name(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
PubChem CID174417066
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
SMILESNC(=O)NSC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24N2OS/c24-22(26)25-27-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,24,25,26)
InChIKeyCMURDGQWKIJFOP-UHFFFAOYSA-N
XLogP4.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
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CID 62705603
3-phenyl-2-sulfinylpropanamide
CID 174507672
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 89205407
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
benzene;benzylurea;hydrazine
CID 68793593
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea?
The IUPAC name of (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea (CID 174417066) is (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea.
What is the SMILES notation for (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea?
The canonical SMILES for (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea is NC(=O)NSC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea?
The InChIKey is CMURDGQWKIJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c24-22(26)25-27-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,24,25,26).
What are the key properties of (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea?
(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea has a molecular weight of 376.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea is sourced from PubChem (CID 174417066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).