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

C14H12F2N2O2S — CID 17395086

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O2S/c15-11-4-3-9(6-12(11)16)18-14(20)8-17-13(19)7-10-2-1-5-21-10/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeySGGJHNSQJCICHB-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.32
Rot. Bonds5

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

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 17395086) 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-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID17395086
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2N2O2S/c15-11-4-3-9(6-12(11)16)18-14(20)8-17-13(19)7-10-2-1-5-21-10/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeySGGJHNSQJCICHB-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-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
CID 8834778
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113001015
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-2-thiophen-2-ylacetamide
CID 76939500
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808095
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 17395086) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is SGGJHNSQJCICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-11-4-3-9(6-12(11)16)18-14(20)8-17-13(19)7-10-2-1-5-21-10/h1-6H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 17395086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).