3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea

C20H22N2O3S — CID 5195902

IUPAC3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea
SMILESCCOc1ccc(NC(=O)N(Cc2ccco2)C(C)c2cccs2)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-24-17-10-8-16(9-11-17)21-20(23)22(14-18-6-4-12-25-18)15(2)19-7-5-13-26-19/h4-13,15H,3,14H2,1-2H3,(H,21,23)
InChIKeyUOYWADSBHCWQCR-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.54
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea

3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea (PubChem CID 5195902) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea
PubChem CID5195902
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea
SMILESCCOc1ccc(NC(=O)N(Cc2ccco2)C(C)c2cccs2)cc1
InChIInChI=1S/C20H22N2O3S/c1-3-24-17-10-8-16(9-11-17)21-20(23)22(14-18-6-4-12-25-18)15(2)19-7-5-13-26-19/h4-13,15H,3,14H2,1-2H3,(H,21,23)
InChIKeyUOYWADSBHCWQCR-UHFFFAOYSA-N
XLogP5.54
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
CID 4523827
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
CID 4122094
2-[butan-2-yl-[(4-ethoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4021391
N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3190993
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea
CID 42709329
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea (CID 5195902) is 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea is CCOc1ccc(NC(=O)N(Cc2ccco2)C(C)c2cccs2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is UOYWADSBHCWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-24-17-10-8-16(9-11-17)21-20(23)22(14-18-6-4-12-25-18)15(2)19-7-5-13-26-19/h4-13,15H,3,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea?
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 370.47 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 5195902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).