1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C16H20N2O3S — CID 71782512

IUPAC1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-21-13-8-6-12(7-9-13)18-15(19)17-11-16(2,20)14-5-4-10-22-14/h4-10,20H,3,11H2,1-2H3,(H2,17,18,19)
InChIKeyMXPOSKCGFQEAJD-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 71782512) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID71782512
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-21-13-8-6-12(7-9-13)18-15(19)17-11-16(2,20)14-5-4-10-22-14/h4-10,20H,3,11H2,1-2H3,(H2,17,18,19)
InChIKeyMXPOSKCGFQEAJD-UHFFFAOYSA-N
XLogP3.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 71782512) is 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CCOc1ccc(NC(=O)NCC(C)(O)c2cccs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is MXPOSKCGFQEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-21-13-8-6-12(7-9-13)18-15(19)17-11-16(2,20)14-5-4-10-22-14/h4-10,20H,3,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 320.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 71782512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).