N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide

C15H14F2N2O2S — CID 51191676

IUPACN-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O2S/c16-11-3-1-4-12(17)14(11)19-13(20)5-2-7-18-15(21)10-6-8-22-9-10/h1,3-4,6,8-9H,2,5,7H2,(H,18,21)(H,19,20)
InChIKeyGAMZJABJDPFUTG-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.17
Rot. Bonds6

About N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide

N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 51191676) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
PubChem CID51191676
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC NameN-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O2S/c16-11-3-1-4-12(17)14(11)19-13(20)5-2-7-18-15(21)10-6-8-22-9-10/h1,3-4,6,8-9H,2,5,7H2,(H,18,21)(H,19,20)
InChIKeyGAMZJABJDPFUTG-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-(3-fluoro-4-pyrrolidin-1-ylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55889409
N-[4-oxo-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]butyl]thiophene-3-carboxamide
CID 36579974
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 34573533
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30276571

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide (CID 51191676) is N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)Nc1c(F)cccc1F.
What is the InChIKey of N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is GAMZJABJDPFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c16-11-3-1-4-12(17)14(11)19-13(20)5-2-7-18-15(21)10-6-8-22-9-10/h1,3-4,6,8-9H,2,5,7H2,(H,18,21)(H,19,20).
What are the key properties of N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide?
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 51191676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).