N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide

C14H10FNO2S — CID 166453822

IUPACN-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
SMILESO=C=C(CNC(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO2S/c15-12-5-3-10(4-6-12)11(9-17)8-16-14(18)13-2-1-7-19-13/h1-7H,8H2,(H,16,18)
InChIKeyAESDJWIXRJDTDS-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide

N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide (PubChem CID 166453822) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
PubChem CID166453822
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC NameN-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
SMILESO=C=C(CNC(=O)c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO2S/c15-12-5-3-10(4-6-12)11(9-17)8-16-14(18)13-2-1-7-19-13/h1-7H,8H2,(H,16,18)
InChIKeyAESDJWIXRJDTDS-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662361
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 157335642
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856376
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 9021969
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
CID 83289766

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide (CID 166453822) is N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide is O=C=C(CNC(=O)c1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide?
The InChIKey is AESDJWIXRJDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c15-12-5-3-10(4-6-12)11(9-17)8-16-14(18)13-2-1-7-19-13/h1-7H,8H2,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide?
N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide is sourced from PubChem (CID 166453822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).