N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide

C13H11FN2O2S — CID 75508902

IUPACN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide
SMILESNC(=O)C(NC(=O)c1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2S/c14-10-3-1-8(2-4-10)11(12(15)17)16-13(18)9-5-6-19-7-9/h1-7,11H,(H2,15,17)(H,16,18)
InChIKeyYRSWSJSDBYEIFQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.84
Rot. Bonds4

About N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 75508902) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID75508902
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide
SMILESNC(=O)C(NC(=O)c1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2S/c14-10-3-1-8(2-4-10)11(12(15)17)16-13(18)9-5-6-19-7-9/h1-7,11H,(H2,15,17)(H,16,18)
InChIKeyYRSWSJSDBYEIFQ-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide (CID 75508902) is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide is NC(=O)C(NC(=O)c1ccsc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is YRSWSJSDBYEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-10-3-1-8(2-4-10)11(12(15)17)16-13(18)9-5-6-19-7-9/h1-7,11H,(H2,15,17)(H,16,18).
What are the key properties of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide?
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 75508902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).