N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide

C23H25N3OS — CID 112984453

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)Cc4cccs4)cc3)CC2)c1
InChIInChI=1S/C23H25N3OS/c1-18-4-2-5-21(16-18)26-13-11-25(12-14-26)20-9-7-19(8-10-20)24-23(27)17-22-6-3-15-28-22/h2-10,15-16H,11-14,17H2,1H3,(H,24,27)
InChIKeyMPCNOQNRVRUKSG-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.56
Rot. Bonds5

About N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 112984453) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID112984453
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)Cc4cccs4)cc3)CC2)c1
InChIInChI=1S/C23H25N3OS/c1-18-4-2-5-21(16-18)26-13-11-25(12-14-26)20-9-7-19(8-10-20)24-23(27)17-22-6-3-15-28-22/h2-10,15-16H,11-14,17H2,1H3,(H,24,27)
InChIKeyMPCNOQNRVRUKSG-UHFFFAOYSA-N
XLogP4.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112981698
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
CID 42175849
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
2-(3-methylphenoxy)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 3371367
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide (CID 112984453) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide is Cc1cccc(N2CCN(c3ccc(NC(=O)Cc4cccs4)cc3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is MPCNOQNRVRUKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-18-4-2-5-21(16-18)26-13-11-25(12-14-26)20-9-7-19(8-10-20)24-23(27)17-22-6-3-15-28-22/h2-10,15-16H,11-14,17H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 391.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112984453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).