2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide

C22H24N4O2S — CID 16596397

IUPAC2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C22H24N4O2S/c23-22(28)18-6-1-3-7-19(18)24-21(27)14-26-11-9-25(10-12-26)13-16-15-29-20-8-4-2-5-17(16)20/h1-8,15H,9-14H2,(H2,23,28)(H,24,27)
InChIKeyYEPOHIBSSNLWOY-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.76
Rot. Bonds6

About 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide

2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 16596397) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID16596397
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C22H24N4O2S/c23-22(28)18-6-1-3-7-19(18)24-21(27)14-26-11-9-25(10-12-26)13-16-15-29-20-8-4-2-5-17(16)20/h1-8,15H,9-14H2,(H2,23,28)(H,24,27)
InChIKeyYEPOHIBSSNLWOY-UHFFFAOYSA-N
XLogP2.76
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51111757
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide (CID 16596397) is 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1.
What is the InChIKey of 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is YEPOHIBSSNLWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c23-22(28)18-6-1-3-7-19(18)24-21(27)14-26-11-9-25(10-12-26)13-16-15-29-20-8-4-2-5-17(16)20/h1-8,15H,9-14H2,(H2,23,28)(H,24,27).
What are the key properties of 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 408.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 16596397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).