1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea

C19H24N2O2S — CID 100634662

IUPAC1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCCOc1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C19H24N2O2S/c1-4-22-18-11-6-5-8-15(18)13-20-19(24)21-16-9-7-10-17(12-16)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,24)
InChIKeyJQYYEDSRKPIZHC-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.36
Rot. Bonds7

About 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea

1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea (PubChem CID 100634662) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
PubChem CID100634662
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
SMILESCCOc1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C19H24N2O2S/c1-4-22-18-11-6-5-8-15(18)13-20-19(24)21-16-9-7-10-17(12-16)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,24)
InChIKeyJQYYEDSRKPIZHC-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

methyl 3-[(2-ethoxyphenyl)methylcarbamothioylamino]benzoate
CID 100634431
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
1-(3-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)thiourea
CID 100595465
1-(3,5-dichlorophenyl)-3-[(2-ethoxyphenyl)methyl]thiourea
CID 3753198
1-[(4-fluorophenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100635319
1-(4-bromo-3-chlorophenyl)-3-[(2-ethoxyphenyl)methyl]thiourea
CID 100634270
5-bromo-2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154923
1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
CID 133174482
1-(3-ethoxyphenyl)-3-[(3-ethoxyphenyl)methyl]thiourea
CID 100633173
1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100649697
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
N-[2,5-diethoxy-4-[(3-methoxyphenyl)carbamothioylamino]phenyl]-2-methylpropanamide
CID 1172440

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea (CID 100634662) is 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea is CCOc1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea?
The InChIKey is JQYYEDSRKPIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-22-18-11-6-5-8-15(18)13-20-19(24)21-16-9-7-10-17(12-16)23-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea?
1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea is sourced from PubChem (CID 100634662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).