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

C19H24N2O2S — CID 100652655

IUPAC1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H24N2O2S/c1-4-18(14-9-11-16(22-3)12-10-14)21-19(24)20-15-7-6-8-17(13-15)23-5-2/h6-13,18H,4-5H2,1-3H3,(H2,20,21,24)/t18-/m1/s1
InChIKeyQTKYHLDMTWMKDN-GOSISDBHSA-N
MW344.48 g/mol
LogP4.53
Rot. Bonds7

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

1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea (PubChem CID 100652655) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
PubChem CID100652655
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H24N2O2S/c1-4-18(14-9-11-16(22-3)12-10-14)21-19(24)20-15-7-6-8-17(13-15)23-5-2/h6-13,18H,4-5H2,1-3H3,(H2,20,21,24)/t18-/m1/s1
InChIKeyQTKYHLDMTWMKDN-GOSISDBHSA-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-(3-ethoxyphenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 133215662
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 133216626
1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 19675554
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
1-(3,4-difluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652514
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 133216596
1-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(3-ethoxyphenyl)thiourea
CID 100743405
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651983
1-(4-bromo-3-methylphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215512
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea (CID 100652655) is 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea is CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea?
The InChIKey is QTKYHLDMTWMKDN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-18(14-9-11-16(22-3)12-10-14)21-19(24)20-15-7-6-8-17(13-15)23-5-2/h6-13,18H,4-5H2,1-3H3,(H2,20,21,24)/t18-/m1/s1.
What are the key properties of 1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea?
1-(3-ethoxyphenyl)-3-[(1R)-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-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 100652655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).