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

C19H28N2OS — CID 100771378

IUPAC1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea
SMILESCCC1(NC(=S)Nc2ccc(OC3CCCC3)cc2)CCCC1
InChIInChI=1S/C19H28N2OS/c1-2-19(13-5-6-14-19)21-18(23)20-15-9-11-17(12-10-15)22-16-7-3-4-8-16/h9-12,16H,2-8,13-14H2,1H3,(H2,20,21,23)
InChIKeySVENKVZJFWNFFC-UHFFFAOYSA-N
MW332.51 g/mol
LogP5.02
Rot. Bonds5

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

1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea (PubChem CID 100771378) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea
PubChem CID100771378
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea
SMILESCCC1(NC(=S)Nc2ccc(OC3CCCC3)cc2)CCCC1
InChIInChI=1S/C19H28N2OS/c1-2-19(13-5-6-14-19)21-18(23)20-15-9-11-17(12-10-15)22-16-7-3-4-8-16/h9-12,16H,2-8,13-14H2,1H3,(H2,20,21,23)
InChIKeySVENKVZJFWNFFC-UHFFFAOYSA-N
XLogP5.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.51
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(1-ethylcyclopentyl)thiourea
CID 100766452
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
1-(4-cyclopentyloxyphenyl)-3-(1-pyridin-3-ylcyclopentyl)thiourea
CID 100771371
1-(4-cyclopentyloxyphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 94003652
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
1-(4-cyclopentyloxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 100763171
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651290
1-(4-cyclopentyloxyphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636414
1-(4-cyclopentyloxyphenyl)-3-(3-propan-2-yloxypropyl)thiourea
CID 100608002
1-(4-cyclopentyloxyphenyl)-3-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]thiourea
CID 100737565
1-(1-ethylcyclopentyl)-3-(3-prop-2-enoxyphenyl)thiourea
CID 100771289
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643883

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea (CID 100771378) is 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea is CCC1(NC(=S)Nc2ccc(OC3CCCC3)cc2)CCCC1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
The InChIKey is SVENKVZJFWNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-2-19(13-5-6-14-19)21-18(23)20-15-9-11-17(12-10-15)22-16-7-3-4-8-16/h9-12,16H,2-8,13-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea?
1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea has a molecular weight of 332.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-(1-ethylcyclopentyl)thiourea is sourced from PubChem (CID 100771378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).