1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea

C17H20N2OS — CID 8684445

IUPAC1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea
SMILESCCc1ccc(NC(=S)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-2-14-8-10-15(11-9-14)19-17(21)18-12-13-20-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H2,18,19,21)
InChIKeyDURFPEWFHLWWLY-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea

1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea (PubChem CID 8684445) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea
PubChem CID8684445
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea
SMILESCCc1ccc(NC(=S)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-2-14-8-10-15(11-9-14)19-17(21)18-12-13-20-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H2,18,19,21)
InChIKeyDURFPEWFHLWWLY-UHFFFAOYSA-N
XLogP3.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684446
1-[4-(difluoromethoxy)phenyl]-3-(3-phenoxypropyl)thiourea
CID 9238435
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
1-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)thiourea
CID 134101285
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
N-[4-(2-phenoxyethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide
CID 10135570
1-(4-ethylphenyl)-3-[[4-(phenoxymethyl)benzoyl]amino]thiourea
CID 8616375
3-[(4-ethylphenyl)carbamothioylamino]propanoic acid
CID 3008620

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea (CID 8684445) is 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea is CCc1ccc(NC(=S)NCCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea?
The InChIKey is DURFPEWFHLWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-14-8-10-15(11-9-14)19-17(21)18-12-13-20-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea?
1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea has a molecular weight of 300.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea is sourced from PubChem (CID 8684445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).