N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide

C19H24F2N4O2S+2 — CID 8834778

IUPACN-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2cccs2)CC1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N4O2S/c20-16-4-3-14(10-17(16)21)23-18(26)11-22-19(27)13-25-7-5-24(6-8-25)12-15-2-1-9-28-15/h1-4,9-10H,5-8,11-13H2,(H,22,27)(H,23,26)/p+2
InChIKeyLZXOBQGNKJAZEF-UHFFFAOYSA-P
MW410.49 g/mol
LogP-0.94
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide (PubChem CID 8834778) has the molecular formula C19H24F2N4O2S+2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
PubChem CID8834778
Molecular FormulaC19H24F2N4O2S+2
Molecular Weight410.49 g/mol
Exact Mass410.16
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2cccs2)CC1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N4O2S/c20-16-4-3-14(10-17(16)21)23-18(26)11-22-19(27)13-25-7-5-24(6-8-25)12-15-2-1-9-28-15/h1-4,9-10H,5-8,11-13H2,(H,22,27)(H,23,26)/p+2
InChIKeyLZXOBQGNKJAZEF-UHFFFAOYSA-P
XLogP-0.94
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720462
2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8720454
N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720588
N-(3,4-difluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8549406
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9044697
N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654003
2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785
N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8540767
N-(3,4-difluorophenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 8617123
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide (CID 8834778) is N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide is O=C(C[NH+]1CC[NH+](Cc2cccs2)CC1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
The InChIKey is LZXOBQGNKJAZEF-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H22F2N4O2S/c20-16-4-3-14(10-17(16)21)23-18(26)11-22-19(27)13-25-7-5-24(6-8-25)12-15-2-1-9-28-15/h1-4,9-10H,5-8,11-13H2,(H,22,27)(H,23,26)/p+2.
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide has a molecular weight of 410.49 g/mol, XLogP of -0.94, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8834778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).