1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea

C25H28N2S — CID 19650217

IUPAC1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2S/c1-19(2)20-13-15-23(16-14-20)27-25(28)26-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H2,26,27,28)
InChIKeyLQTWXRMYUDRNPA-UHFFFAOYSA-N
MW388.58 g/mol
LogP6.32
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea

1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 19650217) has the molecular formula C25H28N2S and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
PubChem CID19650217
Molecular FormulaC25H28N2S
Molecular Weight388.58 g/mol
Exact Mass388.20
IUPAC Name1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2S/c1-19(2)20-13-15-23(16-14-20)27-25(28)26-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H2,26,27,28)
InChIKeyLQTWXRMYUDRNPA-UHFFFAOYSA-N
XLogP6.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624818
1-decyl-3-(4-propan-2-ylphenyl)thiourea
CID 19651185
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea
CID 8657811
1-[(2R)-2-benzylbutyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100704194
N-(3,3-diphenylpropyl)-3-[2-methylpropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanamide
CID 42698814
1-(4-bromophenyl)-3-[3-(4-propan-2-ylphenyl)propyl]thiourea
CID 100756521
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
1-(3,3-diphenylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3601294
dimethyl-[2-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]ethyl]azanium
CID 8619130
1-(1-benzylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 17298835

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea (CID 19650217) is 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is LQTWXRMYUDRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2S/c1-19(2)20-13-15-23(16-14-20)27-25(28)26-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H2,26,27,28).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea?
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 388.58 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 19650217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).