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

C21H25N3O5S — CID 22200420

IUPACN-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-16(25)17-3-5-18(6-4-17)22-21(26)15-23-11-13-24(14-12-23)30(27,28)20-9-7-19(29-2)8-10-20/h3-10H,11-15H2,1-2H3,(H,22,26)
InChIKeyDUKVTSVJDFHMLJ-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.84
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 22200420) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID22200420
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-16(25)17-3-5-18(6-4-17)22-21(26)15-23-11-13-24(14-12-23)30(27,28)20-9-7-19(29-2)8-10-20/h3-10H,11-15H2,1-2H3,(H,22,26)
InChIKeyDUKVTSVJDFHMLJ-UHFFFAOYSA-N
XLogP1.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3235735
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687
N-(4-chloro-3-nitrophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200427
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3244475
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8749430
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide (CID 22200420) is N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide is COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is DUKVTSVJDFHMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-16(25)17-3-5-18(6-4-17)22-21(26)15-23-11-13-24(14-12-23)30(27,28)20-9-7-19(29-2)8-10-20/h3-10H,11-15H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 431.51 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 22200420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).