1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea

C24H33N3OS — CID 3293098

IUPAC1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea
SMILESCc1ccccc1CN(CCCN1CCOCC1)C(=S)NCCc1ccccc1
InChIInChI=1S/C24H33N3OS/c1-21-8-5-6-11-23(21)20-27(15-7-14-26-16-18-28-19-17-26)24(29)25-13-12-22-9-3-2-4-10-22/h2-6,8-11H,7,12-20H2,1H3,(H,25,29)
InChIKeyBRDWOELHANLFPP-UHFFFAOYSA-N
MW411.62 g/mol
LogP3.64
Rot. Bonds9

About 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea

1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea (PubChem CID 3293098) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea
PubChem CID3293098
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea
SMILESCc1ccccc1CN(CCCN1CCOCC1)C(=S)NCCc1ccccc1
InChIInChI=1S/C24H33N3OS/c1-21-8-5-6-11-23(21)20-27(15-7-14-26-16-18-28-19-17-26)24(29)25-13-12-22-9-3-2-4-10-22/h2-6,8-11H,7,12-20H2,1H3,(H,25,29)
InChIKeyBRDWOELHANLFPP-UHFFFAOYSA-N
XLogP3.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4192966
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-propan-2-ylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4625166
3-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 4069593
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
1-[2-(dimethylamino)ethyl]-3-(3-morpholin-4-ylpropyl)-1-(naphthalen-1-ylmethyl)thiourea
CID 20628304
3-benzyl-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3399860
1-benzyl-3-cyclooctyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 17065602
1-[(4-fluorophenyl)methyl]-3-heptyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 4662917
3-dodecyl-1-[(5-methylfuran-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3626879
3-(2,3-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8628559
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3169853
1-benzyl-1-(3-morpholin-4-ylpropyl)-3-pyridin-3-ylthiourea
CID 17370493

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea (CID 3293098) is 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea is Cc1ccccc1CN(CCCN1CCOCC1)C(=S)NCCc1ccccc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea?
The InChIKey is BRDWOELHANLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-21-8-5-6-11-23(21)20-27(15-7-14-26-16-18-28-19-17-26)24(29)25-13-12-22-9-3-2-4-10-22/h2-6,8-11H,7,12-20H2,1H3,(H,25,29).
What are the key properties of 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea?
1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea has a molecular weight of 411.62 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 3293098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).