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

C19H22BrN3O4S — CID 3241108

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O4S/c1-27-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)28(25,26)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZNINZAGFDHIIKT-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.40
Rot. Bonds6

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

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 3241108) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID3241108
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O4S/c1-27-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)28(25,26)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZNINZAGFDHIIKT-UHFFFAOYSA-N
XLogP2.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 8745789
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 52920763
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3674696
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-quinolin-5-ylacetamide
CID 43038830
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 3241108) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZNINZAGFDHIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c1-27-18-5-3-2-4-17(18)21-19(24)14-22-10-12-23(13-11-22)28(25,26)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 468.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 3241108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).