2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C22H28ClN3O3S — CID 55387320

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-3-24(4-2)22(27)21(18-8-6-5-7-9-18)25-14-16-26(17-15-25)30(28,29)20-12-10-19(23)11-13-20/h5-13,21H,3-4,14-17H2,1-2H3
InChIKeyGFHQDJWMVFRKDO-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.26
Rot. Bonds7

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 55387320) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID55387320
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-3-24(4-2)22(27)21(18-8-6-5-7-9-18)25-14-16-26(17-15-25)30(28,29)20-12-10-19(23)11-13-20/h5-13,21H,3-4,14-17H2,1-2H3
InChIKeyGFHQDJWMVFRKDO-UHFFFAOYSA-N
XLogP3.26
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
(2R)-2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 41320795
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 78787610
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692
(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 30776820
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55432148
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
(1S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenylethanol
CID 9248098
N,N-diethyl-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 55387320) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is GFHQDJWMVFRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-3-24(4-2)22(27)21(18-8-6-5-7-9-18)25-14-16-26(17-15-25)30(28,29)20-12-10-19(23)11-13-20/h5-13,21H,3-4,14-17H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 450.00 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 55387320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).