1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea

C21H26N2O2S — CID 100643883

IUPAC1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-15(16-7-11-18(24-2)12-8-16)22-21(26)23-17-9-13-20(14-10-17)25-19-5-3-4-6-19/h7-15,19H,3-6H2,1-2H3,(H2,22,23,26)/t15-/m1/s1
InChIKeyUHTWXODWNZKSRU-OAHLLOKOSA-N
MW370.52 g/mol
LogP5.06
Rot. Bonds6

About 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea

1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea (PubChem CID 100643883) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
PubChem CID100643883
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-15(16-7-11-18(24-2)12-8-16)22-21(26)23-17-9-13-20(14-10-17)25-19-5-3-4-6-19/h7-15,19H,3-6H2,1-2H3,(H2,22,23,26)/t15-/m1/s1
InChIKeyUHTWXODWNZKSRU-OAHLLOKOSA-N
XLogP5.06
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.06
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-cyclopentyloxyphenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 133215676
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100730197
1-(4-cyclopentyloxyphenyl)-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 133216431
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiourea
CID 100743634
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670837
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651290
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
1-(4-methoxyphenyl)-3-propan-2-ylthiourea;sulfane
CID 159797828
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 48628219
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8656099
1-(4-cyclopentyloxyphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100714418
1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154936

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea (CID 100643883) is 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea is COc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea?
The InChIKey is UHTWXODWNZKSRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15(16-7-11-18(24-2)12-8-16)22-21(26)23-17-9-13-20(14-10-17)25-19-5-3-4-6-19/h7-15,19H,3-6H2,1-2H3,(H2,22,23,26)/t15-/m1/s1.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea?
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea has a molecular weight of 370.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 100643883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).