1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea

C22H28N2OS — CID 100651290

IUPAC1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2OS/c1-3-21(17-10-8-16(2)9-11-17)24-22(26)23-18-12-14-20(15-13-18)25-19-6-4-5-7-19/h8-15,19,21H,3-7H2,1-2H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyQDAHNLLRHGELHE-OAQYLSRUSA-N
MW368.55 g/mol
LogP5.75
Rot. Bonds6

About 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea

1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea (PubChem CID 100651290) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
PubChem CID100651290
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2OS/c1-3-21(17-10-8-16(2)9-11-17)24-22(26)23-18-12-14-20(15-13-18)25-19-6-4-5-7-19/h8-15,19,21H,3-7H2,1-2H3,(H2,23,24,26)/t21-/m1/s1
InChIKeyQDAHNLLRHGELHE-OAQYLSRUSA-N
XLogP5.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.75
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-(4-methylphenyl)thiourea
CID 100639528
1-(4-cyclopentyloxyphenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 133215676
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiourea
CID 100743634
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643883
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100730197
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670837
1-(4-cyclopentyloxyphenyl)-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 133216431
1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
CID 8657365
1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100650624
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675395

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea (CID 100651290) is 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea is CC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
The InChIKey is QDAHNLLRHGELHE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-3-21(17-10-8-16(2)9-11-17)24-22(26)23-18-12-14-20(15-13-18)25-19-6-4-5-7-19/h8-15,19,21H,3-7H2,1-2H3,(H2,23,24,26)/t21-/m1/s1.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea?
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea has a molecular weight of 368.55 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 100651290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).