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

C19H24N2O2S — CID 100676423

IUPAC1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea
SMILESCCOc1cccc(NC(=S)NCCCc2cccc(OC)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-3-23-18-11-5-9-16(14-18)21-19(24)20-12-6-8-15-7-4-10-17(13-15)22-2/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3,(H2,20,21,24)
InChIKeyXKTLLOZCLOLLBK-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.01
Rot. Bonds8

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

1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea (PubChem CID 100676423) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea
PubChem CID100676423
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea
SMILESCCOc1cccc(NC(=S)NCCCc2cccc(OC)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-3-23-18-11-5-9-16(14-18)21-19(24)20-12-6-8-15-7-4-10-17(13-15)22-2/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3,(H2,20,21,24)
InChIKeyXKTLLOZCLOLLBK-UHFFFAOYSA-N
XLogP4.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-methoxyphenyl)propyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100676636
1-(3-ethoxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 100763102
1-[(3-ethoxyphenyl)methyl]-3-(3-methoxyphenyl)thiourea
CID 100632641
1-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
1-(3-ethoxyphenyl)-3-[(3-ethoxyphenyl)methyl]thiourea
CID 100633173
1-[3-(4-methoxyphenyl)propyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100677856
1-[3-(2-chlorophenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 100671376
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
1-[3-(azepan-1-yl)propyl]-3-(3-ethoxyphenyl)thiourea
CID 100616869
1-(3-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]thiourea
CID 3596467
1-(3-ethoxyphenyl)-3-[3-[(4-fluorophenyl)methylsulfanyl]propyl]thiourea
CID 100699018

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea (CID 100676423) is 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea is CCOc1cccc(NC(=S)NCCCc2cccc(OC)c2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea?
The InChIKey is XKTLLOZCLOLLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-23-18-11-5-9-16(14-18)21-19(24)20-12-6-8-15-7-4-10-17(13-15)22-2/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea?
1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 100676423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).