N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide

C19H22FN3O2S2 — CID 9020375

IUPACN-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CSCc2cccs2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C19H22FN3O2S2/c20-15-3-1-4-16(11-15)21-18(24)12-22-6-8-23(9-7-22)19(25)14-26-13-17-5-2-10-27-17/h1-5,10-11H,6-9,12-14H2,(H,21,24)
InChIKeyVESQJGRAMDAIBJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.90
Rot. Bonds7

About N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 9020375) has the molecular formula C19H22FN3O2S2 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide
PubChem CID9020375
Molecular FormulaC19H22FN3O2S2
Molecular Weight407.54 g/mol
Exact Mass407.11
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CSCc2cccs2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C19H22FN3O2S2/c20-15-3-1-4-16(11-15)21-18(24)12-22-6-8-23(9-7-22)19(25)14-26-13-17-5-2-10-27-17/h1-5,10-11H,6-9,12-14H2,(H,21,24)
InChIKeyVESQJGRAMDAIBJ-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
CID 9020329
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
N-(3-fluorophenyl)-2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 9020255
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 24657414
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone
CID 4292802
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849834

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide (CID 9020375) is N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CSCc2cccs2)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is VESQJGRAMDAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S2/c20-15-3-1-4-16(11-15)21-18(24)12-22-6-8-23(9-7-22)19(25)14-26-13-17-5-2-10-27-17/h1-5,10-11H,6-9,12-14H2,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9020375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).