1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea

C11H18N2O2S — CID 51895051

IUPAC1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCOCCNC(=O)N[C@@H](C)Cc1cccs1
InChIInChI=1S/C11H18N2O2S/c1-9(8-10-4-3-7-16-10)13-11(14)12-5-6-15-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1
InChIKeyULTNTHKCGAMFBK-VIFPVBQESA-N
MW242.34 g/mol
LogP1.62
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea

1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea (PubChem CID 51895051) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
PubChem CID51895051
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
SMILESCOCCNC(=O)N[C@@H](C)Cc1cccs1
InChIInChI=1S/C11H18N2O2S/c1-9(8-10-4-3-7-16-10)13-11(14)12-5-6-15-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1
InChIKeyULTNTHKCGAMFBK-VIFPVBQESA-N
XLogP1.62
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 ≤ 51.62
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

(2-(Thiophen-2-yl)ethyl)urea
CID 4962323
1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
1-Cyclohexyl-3-(thiophen-2-ylmethyl)urea
CID 649999
methyl N-[(thiophen-2-ylmethyl)carbamoyl]-L-methioninate
CID 663481
1-(2-Thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 3738612
1-Cyclohexyl-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310411
1-[(5-Ethylthiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45828505
1-[(5-Methylthiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45831184
1-(1-Morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
(2S)-2-(hydroxymethyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-1-carboxamide
CID 53600523
1-Propyl-3-(2-thiophen-2-ylethyl)urea
CID 74229353
1-(2-Methoxyethyl)-3-((1-(thiophen-2-yl)cyclopropyl)methyl)urea
CID 45561617

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea (CID 51895051) is 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea is COCCNC(=O)N[C@@H](C)Cc1cccs1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
The InChIKey is ULTNTHKCGAMFBK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(8-10-4-3-7-16-10)13-11(14)12-5-6-15-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea?
1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea has a molecular weight of 242.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 51895051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).