1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea

C11H18N2O2S — CID 47216290

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCCc1ccc(CNC(=O)NCCOC)s1
InChIInChI=1S/C11H18N2O2S/c1-3-9-4-5-10(16-9)8-13-11(14)12-6-7-15-2/h4-5H,3,6-8H2,1-2H3,(H2,12,13,14)
InChIKeyOZCHYSUTEBBWMJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.76
Rot. Bonds6

About 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea

1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea (PubChem CID 47216290) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea
PubChem CID47216290
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCCc1ccc(CNC(=O)NCCOC)s1
InChIInChI=1S/C11H18N2O2S/c1-3-9-4-5-10(16-9)8-13-11(14)12-6-7-15-2/h4-5H,3,6-8H2,1-2H3,(H2,12,13,14)
InChIKeyOZCHYSUTEBBWMJ-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 106005623
1-[(5-ethylthiophen-2-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 103618329
1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591664
2-[[(5-ethylthiophen-2-yl)methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 106005588
1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
CID 47218768
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
3-[[(5-ethylthiophen-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106005611
1-[(5-ethylthiophen-2-yl)methyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111957520
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
1-(2-ethoxyethyl)-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111896253
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea (CID 47216290) is 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea is CCc1ccc(CNC(=O)NCCOC)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea?
The InChIKey is OZCHYSUTEBBWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9-4-5-10(16-9)8-13-11(14)12-6-7-15-2/h4-5H,3,6-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea?
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea has a molecular weight of 242.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47216290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).