N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide

C15H16FN3O2S — CID 134000912

IUPACN-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCCc1cccs1)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2S/c16-11-3-5-12(6-4-11)19-14(20)10-18-15(21)17-8-7-13-2-1-9-22-13/h1-6,9H,7-8,10H2,(H,19,20)(H2,17,18,21)
InChIKeyJPVKOSWZBJGOAE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.37
Rot. Bonds6

About N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide

N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide (PubChem CID 134000912) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
PubChem CID134000912
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCCc1cccs1)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2S/c16-11-3-5-12(6-4-11)19-14(20)10-18-15(21)17-8-7-13-2-1-9-22-13/h1-6,9H,7-8,10H2,(H,19,20)(H2,17,18,21)
InChIKeyJPVKOSWZBJGOAE-UHFFFAOYSA-N
XLogP2.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000907
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089306
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 9040997
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
CID 49255186
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854
N-(4-fluorophenyl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 46327812
2-[(4-bromothiophen-2-yl)methylcarbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49255504

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide (CID 134000912) is N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide is O=C(CNC(=O)NCCc1cccs1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
The InChIKey is JPVKOSWZBJGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-3-5-12(6-4-11)19-14(20)10-18-15(21)17-8-7-13-2-1-9-22-13/h1-6,9H,7-8,10H2,(H,19,20)(H2,17,18,21).
What are the key properties of N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide is sourced from PubChem (CID 134000912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).