1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea

C19H24N2O3S — CID 133216596

IUPAC1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
SMILESCCC(NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24N2O3S/c1-5-16(13-6-11-17(23-3)18(12-13)24-4)21-19(25)20-14-7-9-15(22-2)10-8-14/h6-12,16H,5H2,1-4H3,(H2,20,21,25)
InChIKeyRFNNUUALHKBBIZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.15
Rot. Bonds7

About 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea

1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea (PubChem CID 133216596) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
PubChem CID133216596
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
SMILESCCC(NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24N2O3S/c1-5-16(13-6-11-17(23-3)18(12-13)24-4)21-19(25)20-14-7-9-15(22-2)10-8-14/h6-12,16H,5H2,1-4H3,(H2,20,21,25)
InChIKeyRFNNUUALHKBBIZ-UHFFFAOYSA-N
XLogP4.15
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)thiourea
CID 100733763
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-phenylthiourea
CID 99997533
1-(3-chloro-4-methoxyphenyl)-3-[1-(3,4-dimethoxyphenyl)propyl]thiourea
CID 133216608
1-(3,4-difluorophenyl)-3-[(1S)-1-(3,4-dimethoxyphenyl)propyl]thiourea
CID 100734095
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 133216626
1-[1-(4-butan-2-ylphenyl)propyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 2957972
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100733914
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(3-fluorophenyl)thiourea
CID 133216611
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiourea
CID 100644151

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea (CID 133216596) is 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea is CCC(NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea?
The InChIKey is RFNNUUALHKBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-16(13-6-11-17(23-3)18(12-13)24-4)21-19(25)20-14-7-9-15(22-2)10-8-14/h6-12,16H,5H2,1-4H3,(H2,20,21,25).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea?
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea has a molecular weight of 360.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 133216596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).