1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea

C14H15FN2OS — CID 27871706

IUPAC1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c1-2-17(10-13-4-3-9-19-13)14(18)16-12-7-5-11(15)6-8-12/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyGNUVDYYBBGGHMO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.94
Rot. Bonds4

About 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea

1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 27871706) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID27871706
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c1-2-17(10-13-4-3-9-19-13)14(18)16-12-7-5-11(15)6-8-12/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyGNUVDYYBBGGHMO-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
3-[3-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438322
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 134014402
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea
CID 141110706
2-[(4-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5001282
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5164570

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea (CID 27871706) is 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is GNUVDYYBBGGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-2-17(10-13-4-3-9-19-13)14(18)16-12-7-5-11(15)6-8-12/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea?
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 27871706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).