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

C14H12F2N2O2S — CID 78802763

IUPACN-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O2S/c15-10-2-1-3-11(16)13(10)18-12(19)4-6-17-14(20)9-5-7-21-8-9/h1-3,5,7-8H,4,6H2,(H,17,20)(H,18,19)
InChIKeyACOKIBIWWHEXTO-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.78
Rot. Bonds5

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

N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 78802763) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID78802763
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.32 g/mol
Exact Mass310.06
IUPAC NameN-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O2S/c15-10-2-1-3-11(16)13(10)18-12(19)4-6-17-14(20)9-5-7-21-8-9/h1-3,5,7-8H,4,6H2,(H,17,20)(H,18,19)
InChIKeyACOKIBIWWHEXTO-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propyl]thiophene-3-carboxamide
CID 27813046
N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 55951920
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 43017283

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 78802763) is N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1c(F)cccc1F.
What is the InChIKey of N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is ACOKIBIWWHEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-10-2-1-3-11(16)13(10)18-12(19)4-6-17-14(20)9-5-7-21-8-9/h1-3,5,7-8H,4,6H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 78802763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).