1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea

C20H26N2O3S — CID 19675863

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(C(C)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(16-6-8-17(23-2)9-7-16)22-20(26)21-12-11-15-5-10-18(24-3)19(13-15)25-4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,26)
InChIKeyVORKQCWTOMMVLT-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.48
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea (PubChem CID 19675863) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea
PubChem CID19675863
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(C(C)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(16-6-8-17(23-2)9-7-16)22-20(26)21-12-11-15-5-10-18(24-3)19(13-15)25-4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,26)
InChIKeyVORKQCWTOMMVLT-UHFFFAOYSA-N
XLogP3.48
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.48
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-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,3-dimethylbutan-2-yl)thiourea
CID 3611991
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675268
1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 12622951
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 4993331
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
CID 111818385
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 134042612
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 2954792
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171272
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-prop-2-enylthiourea
CID 19675678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea (CID 19675863) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea is COc1ccc(C(C)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea?
The InChIKey is VORKQCWTOMMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(16-6-8-17(23-2)9-7-16)22-20(26)21-12-11-15-5-10-18(24-3)19(13-15)25-4/h5-10,13-14H,11-12H2,1-4H3,(H2,21,22,26).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea has a molecular weight of 374.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 19675863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).