1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea

C21H27N3O2S — CID 8563489

IUPAC1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
SMILESCOc1ccc(NC(=S)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2S/c1-16-3-5-17(6-4-16)20(15-24-11-13-26-14-12-24)23-21(27)22-18-7-9-19(25-2)10-8-18/h3-10,20H,11-15H2,1-2H3,(H2,22,23,27)/t20-/m0/s1
InChIKeyXTGSVJXDZZVHNP-FQEVSTJZSA-N
MW385.53 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea

1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea (PubChem CID 8563489) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
PubChem CID8563489
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
SMILESCOc1ccc(NC(=S)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2S/c1-16-3-5-17(6-4-16)20(15-24-11-13-26-14-12-24)23-21(27)22-18-7-9-19(25-2)10-8-18/h3-10,20H,11-15H2,1-2H3,(H2,22,23,27)/t20-/m0/s1
InChIKeyXTGSVJXDZZVHNP-FQEVSTJZSA-N
XLogP3.36
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8563544
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 48628219
1-(2,5-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564086
1-(2,5-dimethylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564089
1-(2-methylphenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564027
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
1-(2,3-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564078
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea (CID 8563489) is 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea is COc1ccc(NC(=S)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea?
The InChIKey is XTGSVJXDZZVHNP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-3-5-17(6-4-16)20(15-24-11-13-26-14-12-24)23-21(27)22-18-7-9-19(25-2)10-8-18/h3-10,20H,11-15H2,1-2H3,(H2,22,23,27)/t20-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea?
1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea has a molecular weight of 385.53 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea is sourced from PubChem (CID 8563489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).