N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C22H31N5O3S2 — CID 24680238

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1
InChIInChI=1S/C22H31N5O3S2/c1-2-24-9-13-26(14-10-24)20-7-5-19(6-8-20)23-21(28)18-25-11-15-27(16-12-25)32(29,30)22-4-3-17-31-22/h3-8,17H,2,9-16,18H2,1H3,(H,23,28)
InChIKeyBISCTSPEPGBNSO-UHFFFAOYSA-N
MW477.66 g/mol
LogP1.84
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 24680238) has the molecular formula C22H31N5O3S2 and a molecular weight of 477.66 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID24680238
Molecular FormulaC22H31N5O3S2
Molecular Weight477.66 g/mol
Exact Mass477.19
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1
InChIInChI=1S/C22H31N5O3S2/c1-2-24-9-13-26(14-10-24)20-7-5-19(6-8-20)23-21(28)18-25-11-15-27(16-12-25)32(29,30)22-4-3-17-31-22/h3-8,17H,2,9-16,18H2,1H3,(H,23,28)
InChIKeyBISCTSPEPGBNSO-UHFFFAOYSA-N
XLogP1.84
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.66
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 3720770
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 4818683
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 3514819
N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55478487
N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2397969
2-(3,5-dimethylpiperidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 17401562
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 24680238) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is CCN1CCN(c2ccc(NC(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is BISCTSPEPGBNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S2/c1-2-24-9-13-26(14-10-24)20-7-5-19(6-8-20)23-21(28)18-25-11-15-27(16-12-25)32(29,30)22-4-3-17-31-22/h3-8,17H,2,9-16,18H2,1H3,(H,23,28).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 477.66 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24680238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).