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

C23H31N3OS — CID 8563544

IUPAC1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=S)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H31N3OS/c1-17(2)19-8-10-21(11-9-19)24-23(28)25-22(16-26-12-14-27-15-13-26)20-6-4-18(3)5-7-20/h4-11,17,22H,12-16H2,1-3H3,(H2,24,25,28)/t22-/m0/s1
InChIKeySZAMBMWYEUFQME-QFIPXVFZSA-N
MW397.59 g/mol
LogP4.48
Rot. Bonds6

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

1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8563544) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8563544
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC Name1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=S)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H31N3OS/c1-17(2)19-8-10-21(11-9-19)24-23(28)25-22(16-26-12-14-27-15-13-26)20-6-4-18(3)5-7-20/h4-11,17,22H,12-16H2,1-3H3,(H2,24,25,28)/t22-/m0/s1
InChIKeySZAMBMWYEUFQME-QFIPXVFZSA-N
XLogP4.48
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8563489
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
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8563448
1-(2,3-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564078
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024670
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
1-(2-fluorophenyl)-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564030
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
4-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 31370513

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea (CID 8563544) is 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea is Cc1ccc([C@H](CN2CCOCC2)NC(=S)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is SZAMBMWYEUFQME-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-17(2)19-8-10-21(11-9-19)24-23(28)25-22(16-26-12-14-27-15-13-26)20-6-4-18(3)5-7-20/h4-11,17,22H,12-16H2,1-3H3,(H2,24,25,28)/t22-/m0/s1.
What are the key properties of 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea?
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 397.59 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8563544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).