1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea

C17H22N2O3S — CID 42924663

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea
SMILESCCOc1ccc(OCCNC(=O)NC(C)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S/c1-3-21-14-6-8-15(9-7-14)22-11-10-18-17(20)19-13(2)16-5-4-12-23-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyYBAYEFZCAIGLIU-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.59
Rot. Bonds8

About 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea

1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea (PubChem CID 42924663) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea
PubChem CID42924663
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea
SMILESCCOc1ccc(OCCNC(=O)NC(C)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S/c1-3-21-14-6-8-15(9-7-14)22-11-10-18-17(20)19-13(2)16-5-4-12-23-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyYBAYEFZCAIGLIU-UHFFFAOYSA-N
XLogP3.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-methylphenoxy)propyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974850
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-methyl-5-(1-thiophen-2-ylethylcarbamoylamino)pentanoic acid
CID 104686244
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
CID 107838444
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea (CID 42924663) is 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea is CCOc1ccc(OCCNC(=O)NC(C)c2cccs2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is YBAYEFZCAIGLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-21-14-6-8-15(9-7-14)22-11-10-18-17(20)19-13(2)16-5-4-12-23-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea?
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 334.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 42924663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).