1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea

C23H24N2OS — CID 1322053

IUPAC1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24N2OS/c1-26-21-14-8-13-20(17-21)25-23(27)24-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H2,24,25,27)
InChIKeyZTQVXCWBAVXCSE-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.20
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea

1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea (PubChem CID 1322053) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea
PubChem CID1322053
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24N2OS/c1-26-21-14-8-13-20(17-21)25-23(27)24-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H2,24,25,27)
InChIKeyZTQVXCWBAVXCSE-UHFFFAOYSA-N
XLogP5.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea (CID 1322053) is 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea?
The InChIKey is ZTQVXCWBAVXCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-26-21-14-8-13-20(17-21)25-23(27)24-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H2,24,25,27).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea?
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea has a molecular weight of 376.53 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 1322053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).