1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea

C15H18N2O2S — CID 134056756

IUPAC1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
SMILESCN(CCOc1ccccc1)C(=O)NCc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-17(9-10-19-13-6-3-2-4-7-13)15(18)16-12-14-8-5-11-20-14/h2-8,11H,9-10,12H2,1H3,(H,16,18)
InChIKeyKQJQUNLCBPSRJN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.97
Rot. Bonds6

About 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea

1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 134056756) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID134056756
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
SMILESCN(CCOc1ccccc1)C(=O)NCc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-17(9-10-19-13-6-3-2-4-7-13)15(18)16-12-14-8-5-11-20-14/h2-8,11H,9-10,12H2,1H3,(H,16,18)
InChIKeyKQJQUNLCBPSRJN-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 60604714
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
1-methyl-1-(2-phenoxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60606352
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 38147914
3-ethyl-1-methyl-1-(2-phenoxyethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111273137
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697
3-(1,3-benzothiazol-2-ylmethyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 36900446
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 27516330
2-[[[2-(4-methoxyphenoxy)ethyl-methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363590

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea (CID 134056756) is 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea is CN(CCOc1ccccc1)C(=O)NCc1cccs1.
What is the InChIKey of 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is KQJQUNLCBPSRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(9-10-19-13-6-3-2-4-7-13)15(18)16-12-14-8-5-11-20-14/h2-8,11H,9-10,12H2,1H3,(H,16,18).
What are the key properties of 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea?
1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 134056756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).