2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide

C18H16F2N2OS2 — CID 8800785

IUPAC2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2OS2/c19-16-6-5-13(9-17(16)20)21-18(23)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1-9H,10-12H2,(H,21,23)
InChIKeyXHRDZPBXSNICKG-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.73
Rot. Bonds7

About 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide

2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 8800785) has the molecular formula C18H16F2N2OS2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID8800785
Molecular FormulaC18H16F2N2OS2
Molecular Weight378.47 g/mol
Exact Mass378.07
IUPAC Name2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2OS2/c19-16-6-5-13(9-17(16)20)21-18(23)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1-9H,10-12H2,(H,21,23)
InChIKeyXHRDZPBXSNICKG-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
2-[bis(thiophen-2-ylmethyl)amino]-N-(4-nitrophenyl)acetamide
CID 8800986
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718056
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8801393
N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
CID 8834778
[2-(3,4-difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826

Frequently Asked Questions

What is the IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide (CID 8800785) is 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide is O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is XHRDZPBXSNICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS2/c19-16-6-5-13(9-17(16)20)21-18(23)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1-9H,10-12H2,(H,21,23).
What are the key properties of 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide?
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 8800785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).