1-phenyl-3-(4-phenylmethoxyphenyl)thiourea

C20H18N2OS — CID 807898

IUPAC1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
SMILESS=C(Nc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2OS/c24-20(21-17-9-5-2-6-10-17)22-18-11-13-19(14-12-18)23-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,21,22,24)
InChIKeyDPQAMIPNGRRZSD-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.07
Rot. Bonds5

About 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea

1-phenyl-3-(4-phenylmethoxyphenyl)thiourea (PubChem CID 807898) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
PubChem CID807898
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
SMILESS=C(Nc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2OS/c24-20(21-17-9-5-2-6-10-17)22-18-11-13-19(14-12-18)23-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,21,22,24)
InChIKeyDPQAMIPNGRRZSD-UHFFFAOYSA-N
XLogP5.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.07
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-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
CID 168880124
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
1-(2-methylprop-2-enyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 8619418
1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 2212546
1-(3-fluoro-2-methylphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 53364886
4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
CID 19631523
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562
methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate
CID 22777389
1-[4-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 4940469
1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4200590

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea?
The IUPAC name of 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea (CID 807898) is 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea?
The canonical SMILES for 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea is S=C(Nc1ccccc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea?
The InChIKey is DPQAMIPNGRRZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c24-20(21-17-9-5-2-6-10-17)22-18-11-13-19(14-12-18)23-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,21,22,24).
What are the key properties of 1-phenyl-3-(4-phenylmethoxyphenyl)thiourea?
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea has a molecular weight of 334.44 g/mol, XLogP of 5.07, 5 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)thiourea is sourced from PubChem (CID 807898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).