3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea

C14H15FN2OS — CID 42930015

IUPAC3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCC(c1cccs1)N(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN2OS/c1-10(13-8-5-9-19-13)17(2)14(18)16-12-7-4-3-6-11(12)15/h3-10H,1-2H3,(H,16,18)
InChIKeyLBWVARLCLWKBPO-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.11
Rot. Bonds3

About 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea

3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea (PubChem CID 42930015) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
PubChem CID42930015
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCC(c1cccs1)N(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN2OS/c1-10(13-8-5-9-19-13)17(2)14(18)16-12-7-4-3-6-11(12)15/h3-10H,1-2H3,(H,16,18)
InChIKeyLBWVARLCLWKBPO-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
3-(2-chloro-3-pyridinyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47435001
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 99820561
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325
1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
CID 136539460
3-(1,3-benzodioxol-5-yl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930016

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea (CID 42930015) is 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea is CC(c1cccs1)N(C)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is LBWVARLCLWKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10(13-8-5-9-19-13)17(2)14(18)16-12-7-4-3-6-11(12)15/h3-10H,1-2H3,(H,16,18).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea?
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 42930015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).