N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

C23H25N3O2S — CID 9451718

IUPACN-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H25N3O2S/c27-23(17-26-13-11-25(12-14-26)16-19-10-15-29-18-19)24-21-8-4-5-9-22(21)28-20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2,(H,24,27)
InChIKeyHAYMVAPMJDPDCI-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.30
Rot. Bonds7

About N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 9451718) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
PubChem CID9451718
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C23H25N3O2S/c27-23(17-26-13-11-25(12-14-26)16-19-10-15-29-18-19)24-21-8-4-5-9-22(21)28-20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2,(H,24,27)
InChIKeyHAYMVAPMJDPDCI-UHFFFAOYSA-N
XLogP4.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17499670
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
N-[2-(4-ethoxyphenoxy)phenyl]-2-thiophen-3-ylacetamide
CID 8002490
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 27173357
N-(3-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17451461
N-(3-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491999
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902986
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (CID 9451718) is N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is HAYMVAPMJDPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(17-26-13-11-25(12-14-26)16-19-10-15-29-18-19)24-21-8-4-5-9-22(21)28-20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2,(H,24,27).
What are the key properties of N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9451718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).