1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea

C14H16N2O2S — CID 108889141

IUPAC1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea
SMILESCOc1ccc(C(C)NC(=O)Nc2cccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10(11-5-7-12(18-2)8-6-11)15-14(17)16-13-4-3-9-19-13/h3-10H,1-2H3,(H2,15,16,17)
InChIKeyDIAYJFLYNROPJK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.64
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea

1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea (PubChem CID 108889141) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea
PubChem CID108889141
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea
SMILESCOc1ccc(C(C)NC(=O)Nc2cccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10(11-5-7-12(18-2)8-6-11)15-14(17)16-13-4-3-9-19-13/h3-10H,1-2H3,(H2,15,16,17)
InChIKeyDIAYJFLYNROPJK-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[1-(4-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886327
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 46924888
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-[(E)-2,3-dimethylbut-1-enyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108914630
(2S,3R)-3-hydroxy-2-[1-(4-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 104966379
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea (CID 108889141) is 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea is COc1ccc(C(C)NC(=O)Nc2cccs2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is DIAYJFLYNROPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(11-5-7-12(18-2)8-6-11)15-14(17)16-13-4-3-9-19-13/h3-10H,1-2H3,(H2,15,16,17).
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea?
1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 276.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 108889141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).