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

C18H24N2O2S — CID 90495795

IUPAC3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(NC1CCCCC1)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H24N2O2S/c21-18(19-15-6-2-1-3-7-15)20(14-16-8-4-12-22-16)11-10-17-9-5-13-23-17/h4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2,(H,19,21)
InChIKeyJUMZJSATXHGQNV-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.43
Rot. Bonds6

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

3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 90495795) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID90495795
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
SMILESO=C(NC1CCCCC1)N(CCc1cccs1)Cc1ccco1
InChIInChI=1S/C18H24N2O2S/c21-18(19-15-6-2-1-3-7-15)20(14-16-8-4-12-22-16)11-10-17-9-5-13-23-17/h4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2,(H,19,21)
InChIKeyJUMZJSATXHGQNV-UHFFFAOYSA-N
XLogP4.43
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 91812766
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
3-(2,6-difluorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495809
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-2-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 90495714

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea (CID 90495795) is 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is O=C(NC1CCCCC1)N(CCc1cccs1)Cc1ccco1.
What is the InChIKey of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is JUMZJSATXHGQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-18(19-15-6-2-1-3-7-15)20(14-16-8-4-12-22-16)11-10-17-9-5-13-23-17/h4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2,(H,19,21).
What are the key properties of 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea?
3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 332.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90495795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).