1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea

C23H24N2OS — CID 9216135

IUPAC1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
SMILESCOc1ccc([C@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-16-9-10-17(2)21(15-16)24-23(27)25-22(18-7-5-4-6-8-18)19-11-13-20(26-3)14-12-19/h4-15,22H,1-3H3,(H2,24,25,27)/t22-/m1/s1
InChIKeyJPWAXMQZAGRSNV-JOCHJYFZSA-N
MW376.53 g/mol
LogP5.39
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea

1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea (PubChem CID 9216135) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
PubChem CID9216135
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
SMILESCOc1ccc([C@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-16-9-10-17(2)21(15-16)24-23(27)25-22(18-7-5-4-6-8-18)19-11-13-20(26-3)14-12-19/h4-15,22H,1-3H3,(H2,24,25,27)/t22-/m1/s1
InChIKeyJPWAXMQZAGRSNV-JOCHJYFZSA-N
XLogP5.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.39
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-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea
CID 9216074
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
CID 2900428
1-(3-chloro-4-methoxyphenyl)-3-[(4-methylphenyl)-phenylmethyl]thiourea
CID 133215781
1-(2-chlorophenyl)-3-[(S)-(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 100747275
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 8001075
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(2,5-dimethylphenyl)thiourea
CID 100733459
1-(2,5-dimethylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 7028878
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 922742
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
methyl 2-methyl-3-[[(4-methylphenyl)-phenylmethyl]carbamothioylamino]benzoate
CID 133215791

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea (CID 9216135) is 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea is COc1ccc([C@H](NC(=S)Nc2cc(C)ccc2C)c2ccccc2)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea?
The InChIKey is JPWAXMQZAGRSNV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-16-9-10-17(2)21(15-16)24-23(27)25-22(18-7-5-4-6-8-18)19-11-13-20(26-3)14-12-19/h4-15,22H,1-3H3,(H2,24,25,27)/t22-/m1/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea?
1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea has a molecular weight of 376.53 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea is sourced from PubChem (CID 9216135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).