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

C19H24N2OS — CID 8684446

IUPAC1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea
SMILESCCCCc1ccc(NC(=S)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2OS/c1-2-3-7-16-10-12-17(13-11-16)21-19(23)20-14-15-22-18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,20,21,23)
InChIKeyZNAMHDYPNDQESJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.39
Rot. Bonds8

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

1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea (PubChem CID 8684446) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea
PubChem CID8684446
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea
SMILESCCCCc1ccc(NC(=S)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2OS/c1-2-3-7-16-10-12-17(13-11-16)21-19(23)20-14-15-22-18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,20,21,23)
InChIKeyZNAMHDYPNDQESJ-UHFFFAOYSA-N
XLogP4.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.39
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-ethylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684445
1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea
CID 4665147
3-[(4-butoxyphenyl)carbamothioylamino]propanoic acid
CID 3008623
1-[4-(difluoromethoxy)phenyl]-3-(3-phenoxypropyl)thiourea
CID 9238435
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]octanamide
CID 17130350
[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea
CID 23296337
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
4-heptoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067139

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea?
The IUPAC name of 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea (CID 8684446) is 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea?
The canonical SMILES for 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea is CCCCc1ccc(NC(=S)NCCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea?
The InChIKey is ZNAMHDYPNDQESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-3-7-16-10-12-17(13-11-16)21-19(23)20-14-15-22-18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea?
1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea has a molecular weight of 328.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea is sourced from PubChem (CID 8684446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).