1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea

C20H24N2O2S — CID 100763171

IUPAC1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
SMILESCOc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C20H24N2O2S/c1-23-19-8-4-5-15(13-19)14-21-20(25)22-16-9-11-18(12-10-16)24-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H2,21,22,25)
InChIKeyLZHIKEHHSNOFAH-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.50
Rot. Bonds6

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

1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea (PubChem CID 100763171) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
PubChem CID100763171
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
SMILESCOc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C20H24N2O2S/c1-23-19-8-4-5-15(13-19)14-21-20(25)22-16-9-11-18(12-10-16)24-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H2,21,22,25)
InChIKeyLZHIKEHHSNOFAH-UHFFFAOYSA-N
XLogP4.50
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]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-tert-butylphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 3686008
1-(4-cyclopentyloxyphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636414
1-[(3-methoxyphenyl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9094238
1-(4-cyclopentyloxyphenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 100763441
1-(4-cyclopentyloxyphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 94003652
1-(3-ethoxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 100763102
1-[(3-ethoxyphenyl)methyl]-3-(3-methoxyphenyl)thiourea
CID 100632641
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
1-amino-3-[(3-methoxyphenyl)methyl]thiourea
CID 58338480
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643883
1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea
CID 92541834

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea (CID 100763171) is 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea is COc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea?
The InChIKey is LZHIKEHHSNOFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-23-19-8-4-5-15(13-19)14-21-20(25)22-16-9-11-18(12-10-16)24-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea?
1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea has a molecular weight of 356.49 g/mol, XLogP of 4.50, 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-[(3-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 100763171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).