1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea

C19H22N2OS — CID 100766125

IUPAC1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C19H22N2OS/c1-22-17-11-9-16(10-12-17)20-18(23)21-19(13-5-6-14-19)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3,(H2,20,21,23)
InChIKeyARVNIEOCTWXPPP-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea

1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea (PubChem CID 100766125) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
PubChem CID100766125
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C19H22N2OS/c1-22-17-11-9-16(10-12-17)20-18(23)21-19(13-5-6-14-19)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3,(H2,20,21,23)
InChIKeyARVNIEOCTWXPPP-UHFFFAOYSA-N
XLogP4.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.45
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-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100765643
1-(4-ethylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766912
1-[1-(3,4-dimethoxyphenyl)cyclopentyl]-3-(4-methoxyphenyl)thiourea
CID 100766167
1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765866
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
methyl 3-[[1-(4-methoxyphenyl)cyclopentyl]carbamothioylamino]benzoate
CID 100769976
1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
1-(2,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766554
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
1-[1-(4-methoxyphenyl)cyclopentyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100771647
1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766996
1-(4-bromophenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100765878

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea (CID 100766125) is 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea is COc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea?
The InChIKey is ARVNIEOCTWXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-22-17-11-9-16(10-12-17)20-18(23)21-19(13-5-6-14-19)15-7-3-2-4-8-15/h2-4,7-12H,5-6,13-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea?
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea has a molecular weight of 326.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea is sourced from PubChem (CID 100766125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).