1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea

C18H22N2OS — CID 8696634

IUPAC1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
SMILESCOCCNC(=S)N[C@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-16(11-9-14)17(15-6-4-3-5-7-15)20-18(22)19-12-13-21-2/h3-11,17H,12-13H2,1-2H3,(H2,19,20,22)/t17-/m1/s1
InChIKeyDZWNBBWFCDUUBZ-QGZVFWFLSA-N
MW314.45 g/mol
LogP3.19
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea

1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea (PubChem CID 8696634) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
PubChem CID8696634
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
SMILESCOCCNC(=S)N[C@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-16(11-9-14)17(15-6-4-3-5-7-15)20-18(22)19-12-13-21-2/h3-11,17H,12-13H2,1-2H3,(H2,19,20,22)/t17-/m1/s1
InChIKeyDZWNBBWFCDUUBZ-QGZVFWFLSA-N
XLogP3.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696622
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-benzhydryl-3-[2-(2-methoxy-5-methylphenyl)ethyl]thiourea
CID 91394537
1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
CID 2900428
1-[3-(dimethylamino)propyl]-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216300
1-[(S)-(4-methylphenyl)-phenylmethyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8696676
1-benzhydryl-3-[3-[5-[3-(benzhydrylcarbamothioylamino)propylamino]pentylamino]propyl]thiourea;dihydrochloride
CID 127049225
1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216135
1-(3-chloro-4-methoxyphenyl)-3-[(4-methylphenyl)-phenylmethyl]thiourea
CID 133215781
1-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-(2-methylprop-2-enyl)thiourea
CID 9216061

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea (CID 8696634) is 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea is COCCNC(=S)N[C@H](c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea?
The InChIKey is DZWNBBWFCDUUBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-8-10-16(11-9-14)17(15-6-4-3-5-7-15)20-18(22)19-12-13-21-2/h3-11,17H,12-13H2,1-2H3,(H2,19,20,22)/t17-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea?
1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea has a molecular weight of 314.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea is sourced from PubChem (CID 8696634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).