1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C14H18N2O3S — CID 71865727

IUPAC1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOCC(NC(=O)NCc1sccc1C)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10-5-7-20-13(10)8-15-14(17)16-11(9-18-2)12-4-3-6-19-12/h3-7,11H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyRLTUZWOOKPBJTO-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.84
Rot. Bonds6

About 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 71865727) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID71865727
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOCC(NC(=O)NCc1sccc1C)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10-5-7-20-13(10)8-15-14(17)16-11(9-18-2)12-4-3-6-19-12/h3-7,11H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyRLTUZWOOKPBJTO-UHFFFAOYSA-N
XLogP2.84
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 71865727) is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is COCC(NC(=O)NCc1sccc1C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is RLTUZWOOKPBJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-5-7-20-13(10)8-15-14(17)16-11(9-18-2)12-4-3-6-19-12/h3-7,11H,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 294.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 71865727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).