N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H13FN2O2S — CID 46756514

IUPACN-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2S/c1-9(16-14(19)12-6-3-7-20-12)13(18)17-11-5-2-4-10(15)8-11/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyGETXKSLUHPHIGH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46756514) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46756514
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2S/c1-9(16-14(19)12-6-3-7-20-12)13(18)17-11-5-2-4-10(15)8-11/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyGETXKSLUHPHIGH-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999260
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999258
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94797229
N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55497525
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46756514) is N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is GETXKSLUHPHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9(16-14(19)12-6-3-7-20-12)13(18)17-11-5-2-4-10(15)8-11/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46756514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).