1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea

C24H32N2OS — CID 133154936

IUPAC1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
SMILESCC(CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C24H32N2OS/c1-18(17-24(2,3)19-9-5-4-6-10-19)25-23(28)26-20-13-15-22(16-14-20)27-21-11-7-8-12-21/h4-6,9-10,13-16,18,21H,7-8,11-12,17H2,1-3H3,(H2,25,26,28)
InChIKeyKYFVOYNNPICXRS-UHFFFAOYSA-N
MW396.60 g/mol
LogP6.05
Rot. Bonds7

About 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea

1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea (PubChem CID 133154936) has the molecular formula C24H32N2OS and a molecular weight of 396.60 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
PubChem CID133154936
Molecular FormulaC24H32N2OS
Molecular Weight396.60 g/mol
Exact Mass396.22
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
SMILESCC(CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C24H32N2OS/c1-18(17-24(2,3)19-9-5-4-6-10-19)25-23(28)26-20-13-15-22(16-14-20)27-21-11-7-8-12-21/h4-6,9-10,13-16,18,21H,7-8,11-12,17H2,1-3H3,(H2,25,26,28)
InChIKeyKYFVOYNNPICXRS-UHFFFAOYSA-N
XLogP6.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.05
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-cyclopentyloxyphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100714418
1-(4-methylphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713378
1-(3-ethoxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154922
1-(4-cyclopentyloxyphenyl)-3-[1-(3,4-dimethylphenoxy)propan-2-yl]thiourea
CID 133230991
1-(1,3-benzodioxol-5-yl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154903
1-(3-methylphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154885
1-(3-fluorophenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713872
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643883
1-(3-chlorophenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154893
1-(3-fluorophenyl)-3-[(2S)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713865
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
methyl 3-[[(2R)-4-methyl-4-phenylpentan-2-yl]carbamothioylamino]benzoate
CID 100714162

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea (CID 133154936) is 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea is CC(CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea?
The InChIKey is KYFVOYNNPICXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2OS/c1-18(17-24(2,3)19-9-5-4-6-10-19)25-23(28)26-20-13-15-22(16-14-20)27-21-11-7-8-12-21/h4-6,9-10,13-16,18,21H,7-8,11-12,17H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea?
1-(4-cyclopentyloxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea has a molecular weight of 396.60 g/mol, XLogP of 6.05, 7 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-methyl-4-phenylpentan-2-yl)thiourea is sourced from PubChem (CID 133154936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).