3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide

C25H30N4O2S — CID 69099474

IUPAC3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3cccc4sccc34)CC2)c1
InChIInChI=1S/C25H30N4O2S/c1-19(30)27-21-7-4-6-20(18-21)25(31)26-11-2-3-12-28-13-15-29(16-14-28)23-8-5-9-24-22(23)10-17-32-24/h4-10,17-18H,2-3,11-16H2,1H3,(H,26,31)(H,27,30)
InChIKeyYIRJYSITFPSUEV-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.19
Rot. Bonds8

About 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide

3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide (PubChem CID 69099474) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide
PubChem CID69099474
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3cccc4sccc34)CC2)c1
InChIInChI=1S/C25H30N4O2S/c1-19(30)27-21-7-4-6-20(18-21)25(31)26-11-2-3-12-28-13-15-29(16-14-28)23-8-5-9-24-22(23)10-17-32-24/h4-10,17-18H,2-3,11-16H2,1H3,(H,26,31)(H,27,30)
InChIKeyYIRJYSITFPSUEV-UHFFFAOYSA-N
XLogP4.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide
CID 90811641
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55660173
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381996
4-acetamido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 45259400
tert-butyl N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate
CID 34249305
4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-chloro-3-methoxy-5-methylbenzamide
CID 141277053
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methylpyrimidine-4-carboxamide
CID 143420829
4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methylbenzamide
CID 67504747
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
1-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methylpyrazol-3-yl]ethanone;hydrochloride
CID 57499624

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide (CID 69099474) is 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3cccc4sccc34)CC2)c1.
What is the InChIKey of 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide?
The InChIKey is YIRJYSITFPSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-19(30)27-21-7-4-6-20(18-21)25(31)26-11-2-3-12-28-13-15-29(16-14-28)23-8-5-9-24-22(23)10-17-32-24/h4-10,17-18H,2-3,11-16H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide?
3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide has a molecular weight of 450.61 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 69099474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).