1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

C15H18N2O2S — CID 47034839

IUPAC1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCOCc1ccccc1NC(=O)NCCc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-19-11-12-5-2-3-7-14(12)17-15(18)16-9-8-13-6-4-10-20-13/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyVDIGOOKDHXBAEH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.26
Rot. Bonds6

About 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 47034839) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID47034839
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCOCc1ccccc1NC(=O)NCCc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-19-11-12-5-2-3-7-14(12)17-15(18)16-9-8-13-6-4-10-20-13/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyVDIGOOKDHXBAEH-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 60616593
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(methoxymethyl)phenyl]urea
CID 86989236
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 60572958
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea (CID 47034839) is 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea is COCc1ccccc1NC(=O)NCCc1cccs1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is VDIGOOKDHXBAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-11-12-5-2-3-7-14(12)17-15(18)16-9-8-13-6-4-10-20-13/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 47034839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).