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

C17H13F3N2O2S — CID 121019157

IUPAC1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc(-c2cccs2)o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)12-4-1-2-5-13(12)22-16(23)21-10-11-7-8-14(24-11)15-6-3-9-25-15/h1-9H,10H2,(H2,21,22,23)
InChIKeyGOVGPFLOOPVTQZ-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.35
Rot. Bonds4

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

1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 121019157) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID121019157
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc(-c2cccs2)o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)12-4-1-2-5-13(12)22-16(23)21-10-11-7-8-14(24-11)15-6-3-9-25-15/h1-9H,10H2,(H2,21,22,23)
InChIKeyGOVGPFLOOPVTQZ-UHFFFAOYSA-N
XLogP5.35
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264568
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
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
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 119101900
1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264565
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119101817
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122264352
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
1-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 119099265

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 121019157) is 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCc1ccc(-c2cccs2)o1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is GOVGPFLOOPVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)12-4-1-2-5-13(12)22-16(23)21-10-11-7-8-14(24-11)15-6-3-9-25-15/h1-9H,10H2,(H2,21,22,23).
What are the key properties of 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 366.36 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 121019157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).