1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea

C24H26N2O2S — CID 43077065

IUPAC1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
SMILESCOc1ccc(CNC(=S)NCc2ccc(COCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O2S/c1-27-23-13-11-20(12-14-23)16-26-24(29)25-15-19-7-9-22(10-8-19)18-28-17-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H2,25,26,29)
InChIKeyWYEOQQNCRJYXRD-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.58
Rot. Bonds9

About 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea

1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea (PubChem CID 43077065) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
PubChem CID43077065
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
SMILESCOc1ccc(CNC(=S)NCc2ccc(COCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O2S/c1-27-23-13-11-20(12-14-23)16-26-24(29)25-15-19-7-9-22(10-8-19)18-28-17-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H2,25,26,29)
InChIKeyWYEOQQNCRJYXRD-UHFFFAOYSA-N
XLogP4.58
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077091
1-anilino-3-[(4-methoxyphenyl)methyl]thiourea
CID 4850556
1-[(4-methoxyphenyl)methyl]-3-(phenylcarbamothioylamino)thiourea
CID 8618425
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
1-(2-methylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077085
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111181806
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077075
[(1S)-2-(benzylcarbamothioylamino)-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8771351
1-[(4-methoxyphenyl)methyl]-3-(2-methylprop-2-enyl)thiourea
CID 3452580

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea (CID 43077065) is 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea is COc1ccc(CNC(=S)NCc2ccc(COCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
The InChIKey is WYEOQQNCRJYXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-27-23-13-11-20(12-14-23)16-26-24(29)25-15-19-7-9-22(10-8-19)18-28-17-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H2,25,26,29).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea has a molecular weight of 406.55 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea is sourced from PubChem (CID 43077065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).