1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea

C14H16N2O2S — CID 3245967

IUPAC1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea
SMILESCCOc1ccccc1CNC(=O)Nc1cccs1
InChIInChI=1S/C14H16N2O2S/c1-2-18-12-7-4-3-6-11(12)10-15-14(17)16-13-8-5-9-19-13/h3-9H,2,10H2,1H3,(H2,15,16,17)
InChIKeyGGRKNAVHMVVVKD-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.47
Rot. Bonds5

About 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea

1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea (PubChem CID 3245967) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea
PubChem CID3245967
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea
SMILESCCOc1ccccc1CNC(=O)Nc1cccs1
InChIInChI=1S/C14H16N2O2S/c1-2-18-12-7-4-3-6-11(12)10-15-14(17)16-13-8-5-9-19-13/h3-9H,2,10H2,1H3,(H2,15,16,17)
InChIKeyGGRKNAVHMVVVKD-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea (CID 3245967) is 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea is CCOc1ccccc1CNC(=O)Nc1cccs1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea?
The InChIKey is GGRKNAVHMVVVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-12-7-4-3-6-11(12)10-15-14(17)16-13-8-5-9-19-13/h3-9H,2,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea?
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea has a molecular weight of 276.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 3245967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).