1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea

C15H18N2O2S — CID 90598631

IUPAC1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
SMILESCOC(CNC(=O)Nc1ccccc1)c1ccc(C)s1
InChIInChI=1S/C15H18N2O2S/c1-11-8-9-14(20-11)13(19-2)10-16-15(18)17-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H2,16,17,18)
InChIKeyRPJQBEOREKZZBH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea

1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea (PubChem CID 90598631) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
PubChem CID90598631
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
SMILESCOC(CNC(=O)Nc1ccccc1)c1ccc(C)s1
InChIInChI=1S/C15H18N2O2S/c1-11-8-9-14(20-11)13(19-2)10-16-15(18)17-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H2,16,17,18)
InChIKeyRPJQBEOREKZZBH-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90598658
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 90598595
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea (CID 90598631) is 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea is COC(CNC(=O)Nc1ccccc1)c1ccc(C)s1.
What is the InChIKey of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea?
The InChIKey is RPJQBEOREKZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-8-9-14(20-11)13(19-2)10-16-15(18)17-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea?
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea has a molecular weight of 290.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 90598631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).