N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide

C14H12F2N2O2S — CID 24687836

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O2S/c15-11-2-1-10(6-12(11)16)18-14(20)7-17-13(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,19)(H,18,20)
InChIKeyHISFLTSSCQYCQB-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide (PubChem CID 24687836) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
PubChem CID24687836
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O2S/c15-11-2-1-10(6-12(11)16)18-14(20)7-17-13(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,19)(H,18,20)
InChIKeyHISFLTSSCQYCQB-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-thienyl)acetamide
CID 531783
N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 4785348
N-(2-fluorophenyl)-2-thiophen-3-ylacetamide
CID 4805494
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 3202856
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216707
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216714
N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56832448
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56923423
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057382

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide (CID 24687836) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
The InChIKey is HISFLTSSCQYCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-11-2-1-10(6-12(11)16)18-14(20)7-17-13(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide has a molecular weight of 310.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 24687836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).