1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

C23H22N2O2S — CID 71781383

IUPAC1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCc1cccc2ccccc12)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C23H22N2O2S/c26-23(24-16-19-8-3-7-18-6-1-2-11-22(18)19)25(17-20-9-4-14-27-20)13-12-21-10-5-15-28-21/h1-11,14-15H,12-13,16-17H2,(H,24,26)
InChIKeyCUJBAEZOEAXGRI-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.45
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 71781383) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID71781383
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCc1cccc2ccccc12)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C23H22N2O2S/c26-23(24-16-19-8-3-7-18-6-1-2-11-22(18)19)25(17-20-9-4-14-27-20)13-12-21-10-5-15-28-21/h1-11,14-15H,12-13,16-17H2,(H,24,26)
InChIKeyCUJBAEZOEAXGRI-UHFFFAOYSA-N
XLogP5.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718176
3-(2,6-difluorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495809
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72717883
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714
3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495795
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 91812766
1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2444224

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (CID 71781383) is 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is O=C(NCc1cccc2ccccc12)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is CUJBAEZOEAXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-23(24-16-19-8-3-7-18-6-1-2-11-22(18)19)25(17-20-9-4-14-27-20)13-12-21-10-5-15-28-21/h1-11,14-15H,12-13,16-17H2,(H,24,26).
What are the key properties of 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 390.51 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 71781383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).