N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide

C22H25N3O5S2 — CID 27783595

IUPACN-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C22H25N3O5S2/c1-16(26)18-3-9-21(10-4-18)32(29,30)25-13-11-24(12-14-25)22(28)15-31-20-7-5-19(6-8-20)23-17(2)27/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyHWWQSQJPHIRRJF-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.47
Rot. Bonds7

About N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 27783595) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID27783595
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C22H25N3O5S2/c1-16(26)18-3-9-21(10-4-18)32(29,30)25-13-11-24(12-14-25)22(28)15-31-20-7-5-19(6-8-20)23-17(2)27/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyHWWQSQJPHIRRJF-UHFFFAOYSA-N
XLogP2.47
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
CID 24683506
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8819417
N-[4-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 41275014
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 2421922
N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108569277
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46968479

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide (CID 27783595) is N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is HWWQSQJPHIRRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-16(26)18-3-9-21(10-4-18)32(29,30)25-13-11-24(12-14-25)22(28)15-31-20-7-5-19(6-8-20)23-17(2)27/h3-10H,11-15H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 475.59 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 27783595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).