1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea

C21H20N2OS — CID 168880124

IUPAC1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
SMILESS=C(NCc1ccc(OCc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H20N2OS/c25-21(23-19-9-5-2-6-10-19)22-15-17-11-13-20(14-12-17)24-16-18-7-3-1-4-8-18/h1-14H,15-16H2,(H2,22,23,25)
InChIKeyQFUHAZKRHXUCHN-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.75
Rot. Bonds6

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

1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea (PubChem CID 168880124) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
PubChem CID168880124
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
SMILESS=C(NCc1ccc(OCc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H20N2OS/c25-21(23-19-9-5-2-6-10-19)22-15-17-11-13-20(14-12-17)24-16-18-7-3-1-4-8-18/h1-14H,15-16H2,(H2,22,23,25)
InChIKeyQFUHAZKRHXUCHN-UHFFFAOYSA-N
XLogP4.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
1-(4-methoxyphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077091
1-[(4-methoxyphenyl)methyl]-3-(phenylcarbamothioylamino)thiourea
CID 8618425
1-(2-methylprop-2-enyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 8619418
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
1-[(4-bromophenyl)methyl]-3-phenylthiourea
CID 19057847
1-(2-fluorophenyl)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]thiourea
CID 100669243
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077065
1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077075

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea?
The IUPAC name of 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea (CID 168880124) is 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea is S=C(NCc1ccc(OCc2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea?
The InChIKey is QFUHAZKRHXUCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c25-21(23-19-9-5-2-6-10-19)22-15-17-11-13-20(14-12-17)24-16-18-7-3-1-4-8-18/h1-14H,15-16H2,(H2,22,23,25).
What are the key properties of 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea?
1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea has a molecular weight of 348.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea is sourced from PubChem (CID 168880124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).