1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea

C11H18N2O3S — CID 97414529

IUPAC1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
SMILESCOCCNC(=O)NC[C@H](OC)c1ccsc1
InChIInChI=1S/C11H18N2O3S/c1-15-5-4-12-11(14)13-7-10(16-2)9-3-6-17-8-9/h3,6,8,10H,4-5,7H2,1-2H3,(H2,12,13,14)/t10-/m0/s1
InChIKeyGIXGTGBADXYQOA-JTQLQIEISA-N
MW258.34 g/mol
LogP1.38
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea

1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea (PubChem CID 97414529) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
PubChem CID97414529
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
SMILESCOCCNC(=O)NC[C@H](OC)c1ccsc1
InChIInChI=1S/C11H18N2O3S/c1-15-5-4-12-11(14)13-7-10(16-2)9-3-6-17-8-9/h3,6,8,10H,4-5,7H2,1-2H3,(H2,12,13,14)/t10-/m0/s1
InChIKeyGIXGTGBADXYQOA-JTQLQIEISA-N
XLogP1.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.38
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-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 71804806
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]pent-4-enamide
CID 97427131

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea (CID 97414529) is 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea is COCCNC(=O)NC[C@H](OC)c1ccsc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
The InChIKey is GIXGTGBADXYQOA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-15-5-4-12-11(14)13-7-10(16-2)9-3-6-17-8-9/h3,6,8,10H,4-5,7H2,1-2H3,(H2,12,13,14)/t10-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea?
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea has a molecular weight of 258.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 97414529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).