1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea

C23H24N2O3S — CID 18274591

IUPAC1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCCOc1ccc(Oc2ccc(NC(=S)NCc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-27-20-12-14-22(15-13-20)28-21-10-6-18(7-11-21)25-23(29)24-16-17-4-8-19(26-2)9-5-17/h4-15H,3,16H2,1-2H3,(H2,24,25,29)
InChIKeyLMDQLTJBQVETOC-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.37
Rot. Bonds8

About 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea

1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea (PubChem CID 18274591) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
PubChem CID18274591
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCCOc1ccc(Oc2ccc(NC(=S)NCc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-27-20-12-14-22(15-13-20)28-21-10-6-18(7-11-21)25-23(29)24-16-17-4-8-19(26-2)9-5-17/h4-15H,3,16H2,1-2H3,(H2,24,25,29)
InChIKeyLMDQLTJBQVETOC-UHFFFAOYSA-N
XLogP5.37
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.37
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-[(4-methoxyphenyl)methyl]-3-[4-(4-methylphenoxy)phenyl]thiourea
CID 18290006
4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]benzoic acid
CID 17284489
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
1-(4-ethoxyphenyl)-3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]thiourea
CID 100668153
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-(4-methoxyphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077091
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)thiourea
CID 3659335
1-[(4-methoxyphenyl)methyl]-3-(phenylcarbamothioylamino)thiourea
CID 8618425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea (CID 18274591) is 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea is CCOc1ccc(Oc2ccc(NC(=S)NCc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea?
The InChIKey is LMDQLTJBQVETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-27-20-12-14-22(15-13-20)28-21-10-6-18(7-11-21)25-23(29)24-16-17-4-8-19(26-2)9-5-17/h4-15H,3,16H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea?
1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea has a molecular weight of 408.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 18274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).