1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea

C23H24N2OS — CID 7328313

IUPAC1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea
SMILESCOc1ccc([C@@H](Cc2ccccc2)N(C)C(=S)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-25(23(27)24-20-11-7-4-8-12-20)22(17-18-9-5-3-6-10-18)19-13-15-21(26-2)16-14-19/h3-16,22H,17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyGNVVZWXZSMDMGA-JOCHJYFZSA-N
MW376.53 g/mol
LogP5.31
Rot. Bonds6

About 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea

1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea (PubChem CID 7328313) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea
PubChem CID7328313
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea
SMILESCOc1ccc([C@@H](Cc2ccccc2)N(C)C(=S)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-25(23(27)24-20-11-7-4-8-12-20)22(17-18-9-5-3-6-10-18)19-13-15-21(26-2)16-14-19/h3-16,22H,17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyGNVVZWXZSMDMGA-JOCHJYFZSA-N
XLogP5.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenylethyl)thiourea
CID 8771362
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-(4-methoxyphenyl)urea
CID 42697609
(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine
CID 145175993
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8681958
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea?
The IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea (CID 7328313) is 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea.
What is the SMILES notation for 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea?
The canonical SMILES for 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea is COc1ccc([C@@H](Cc2ccccc2)N(C)C(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea?
The InChIKey is GNVVZWXZSMDMGA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-25(23(27)24-20-11-7-4-8-12-20)22(17-18-9-5-3-6-10-18)19-13-15-21(26-2)16-14-19/h3-16,22H,17H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea?
1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea has a molecular weight of 376.53 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea is sourced from PubChem (CID 7328313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).