2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

C19H23N3O4S — CID 1094963

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-9-7-16(8-10-17)20-19(23)15-21-11-13-22(14-12-21)27(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyODIVIRVWXHBPID-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1094963) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1094963
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-9-7-16(8-10-17)20-19(23)15-21-11-13-22(14-12-21)27(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyODIVIRVWXHBPID-UHFFFAOYSA-N
XLogP1.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200420
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
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
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
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
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 52920763
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 71903893
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3674696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 1094963) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ODIVIRVWXHBPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-9-7-16(8-10-17)20-19(23)15-21-11-13-22(14-12-21)27(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1094963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).