1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea

C15H18N2O2S — CID 88670818

IUPAC1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea
SMILESCCc1cccc(N(C(=O)N(C)OC)c2cccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-4-12-7-5-8-13(11-12)17(14-9-6-10-20-14)15(18)16(2)19-3/h5-11H,4H2,1-3H3
InChIKeyDUYRGMKDIZAZTQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.06
Rot. Bonds4

About 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea

1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea (PubChem CID 88670818) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea
PubChem CID88670818
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea
SMILESCCc1cccc(N(C(=O)N(C)OC)c2cccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-4-12-7-5-8-13(11-12)17(14-9-6-10-20-14)15(18)16(2)19-3/h5-11H,4H2,1-3H3
InChIKeyDUYRGMKDIZAZTQ-UHFFFAOYSA-N
XLogP4.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea?
The IUPAC name of 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea (CID 88670818) is 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea?
The canonical SMILES for 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea is CCc1cccc(N(C(=O)N(C)OC)c2cccs2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea?
The InChIKey is DUYRGMKDIZAZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-12-7-5-8-13(11-12)17(14-9-6-10-20-14)15(18)16(2)19-3/h5-11H,4H2,1-3H3.
What are the key properties of 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea?
1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea has a molecular weight of 290.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-methoxy-3-methyl-1-thiophen-2-ylurea is sourced from PubChem (CID 88670818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).