1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea

C22H22N2OS — CID 9216074

IUPAC1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea
SMILESCOc1ccc([C@H](NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2OS/c1-16-7-6-10-19(15-16)23-22(26)24-21(17-8-4-3-5-9-17)18-11-13-20(25-2)14-12-18/h3-15,21H,1-2H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyOTIQROBKFBERSP-OAQYLSRUSA-N
MW362.50 g/mol
LogP5.08
Rot. Bonds5

About 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea

1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea (PubChem CID 9216074) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea
PubChem CID9216074
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea
SMILESCOc1ccc([C@H](NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2OS/c1-16-7-6-10-19(15-16)23-22(26)24-21(17-8-4-3-5-9-17)18-11-13-20(25-2)14-12-18/h3-15,21H,1-2H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyOTIQROBKFBERSP-OAQYLSRUSA-N
XLogP5.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
1-(3-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216260
1-[(S)-(3-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 100726368
1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216135
1-(3-bromophenyl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100726609
1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(3-methylphenyl)thiourea
CID 133215619
1-[(S)-(4-methylphenyl)-phenylmethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100661240
1-(3-chloro-4-methoxyphenyl)-3-[(4-methylphenyl)-phenylmethyl]thiourea
CID 133215781
1-(3-chloro-4-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216282
1-(6-methoxy-3-pyridinyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216330
1-[(R)-(3-methylphenyl)-phenylmethyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 100727636
1-[(R)-(4-methylphenyl)-phenylmethyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100661315

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea (CID 9216074) is 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea is COc1ccc([C@H](NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1.
What is the InChIKey of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea?
The InChIKey is OTIQROBKFBERSP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-16-7-6-10-19(15-16)23-22(26)24-21(17-8-4-3-5-9-17)18-11-13-20(25-2)14-12-18/h3-15,21H,1-2H3,(H2,23,24,26)/t21-/m1/s1.
What are the key properties of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea?
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea has a molecular weight of 362.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 9216074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).