1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea

C13H13FN2O2S — CID 2808433

IUPAC1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea
SMILESCCOc1ccsc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-2-18-11-6-7-19-12(11)16-13(17)15-10-5-3-4-9(14)8-10/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyIHYQWKWPLLRJCS-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea

1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea (PubChem CID 2808433) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea
PubChem CID2808433
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea
SMILESCCOc1ccsc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-2-18-11-6-7-19-12(11)16-13(17)15-10-5-3-4-9(14)8-10/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyIHYQWKWPLLRJCS-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 108529747
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea (CID 2808433) is 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea is CCOc1ccsc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea?
The InChIKey is IHYQWKWPLLRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-2-18-11-6-7-19-12(11)16-13(17)15-10-5-3-4-9(14)8-10/h3-8H,2H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea?
1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea has a molecular weight of 280.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 2808433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).