1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea

C18H18N2O3S — CID 122264565

IUPAC1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
SMILESO=C(NCCOc1ccccc1)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C18H18N2O3S/c21-18(19-10-11-22-14-5-2-1-3-6-14)20-13-15-8-9-16(23-15)17-7-4-12-24-17/h1-9,12H,10-11,13H2,(H2,19,20,21)
InChIKeyHWIJQYDNFODYTH-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.89
Rot. Bonds7

About 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea

1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea (PubChem CID 122264565) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
PubChem CID122264565
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
SMILESO=C(NCCOc1ccccc1)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C18H18N2O3S/c21-18(19-10-11-22-14-5-2-1-3-6-14)20-13-15-8-9-16(23-15)17-7-4-12-24-17/h1-9,12H,10-11,13H2,(H2,19,20,21)
InChIKeyHWIJQYDNFODYTH-UHFFFAOYSA-N
XLogP3.89
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264427
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea (CID 122264565) is 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea is O=C(NCCOc1ccccc1)NCc1ccc(-c2cccs2)o1.
What is the InChIKey of 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The InChIKey is HWIJQYDNFODYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-18(19-10-11-22-14-5-2-1-3-6-14)20-13-15-8-9-16(23-15)17-7-4-12-24-17/h1-9,12H,10-11,13H2,(H2,19,20,21).
What are the key properties of 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea has a molecular weight of 342.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea is sourced from PubChem (CID 122264565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).