1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea

C19H24N2O2S — CID 133215505

IUPAC1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
SMILESCCOc1ccccc1NC(=S)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-16(14-10-12-15(22-3)13-11-14)20-19(24)21-17-8-6-7-9-18(17)23-5-2/h6-13,16H,4-5H2,1-3H3,(H2,20,21,24)
InChIKeyMDVBTKPEOOLPBV-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.53
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea

1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea (PubChem CID 133215505) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
PubChem CID133215505
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
SMILESCCOc1ccccc1NC(=S)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-16(14-10-12-15(22-3)13-11-14)20-19(24)21-17-8-6-7-9-18(17)23-5-2/h6-13,16H,4-5H2,1-3H3,(H2,20,21,24)
InChIKeyMDVBTKPEOOLPBV-UHFFFAOYSA-N
XLogP4.53
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100733626
1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693807
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651831
1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652655
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(2-ethoxyphenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 100653732
ethyl 3-[1-(4-methoxyphenyl)propylcarbamothioylamino]-2-methylbenzoate
CID 133215531
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-methylthiourea
CID 9218074

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea (CID 133215505) is 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea is CCOc1ccccc1NC(=S)NC(CC)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea?
The InChIKey is MDVBTKPEOOLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-16(14-10-12-15(22-3)13-11-14)20-19(24)21-17-8-6-7-9-18(17)23-5-2/h6-13,16H,4-5H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea?
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 133215505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).