1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea

C19H22N2OS — CID 100639528

IUPAC1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2OS/c1-14-6-8-15(9-7-14)20-19(23)21-16-10-12-18(13-11-16)22-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H2,20,21,23)
InChIKeyVEOGTTGJPLHVKG-UHFFFAOYSA-N
MW326.47 g/mol
LogP5.13
Rot. Bonds4

About 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea

1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea (PubChem CID 100639528) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
PubChem CID100639528
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2OS/c1-14-6-8-15(9-7-14)20-19(23)21-16-10-12-18(13-11-16)22-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H2,20,21,23)
InChIKeyVEOGTTGJPLHVKG-UHFFFAOYSA-N
XLogP5.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651290
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670837
1-(4-cyclopentyloxyphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 94003652
1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea
CID 100771378
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-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643883
1-(4-cyclopentyloxyphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636414
N-(4-cyclopentyloxyphenyl)-2,5-dimethylbenzamide
CID 38454818
1-(4-cyclopentyloxyphenyl)-3-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100720242
1-(4-cyclopentyloxyphenyl)-3-(3-propan-2-yloxypropyl)thiourea
CID 100608002
1-(4-cyclopentyloxyphenyl)-3-[1-(3,4-dimethylphenoxy)propan-2-yl]thiourea
CID 133230991

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea (CID 100639528) is 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea?
The InChIKey is VEOGTTGJPLHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14-6-8-15(9-7-14)20-19(23)21-16-10-12-18(13-11-16)22-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea?
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea has a molecular weight of 326.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 100639528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).