N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide

C20H23Cl2N3O5S — CID 24566664

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H23Cl2N3O5S/c1-29-17-12-16(18(30-2)11-15(17)22)23-20(26)13-24-7-9-25(10-8-24)31(27,28)19-6-4-3-5-14(19)21/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyFTPIRWIAVNCCJF-UHFFFAOYSA-N
MW488.39 g/mol
LogP2.96
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 24566664) has the molecular formula C20H23Cl2N3O5S and a molecular weight of 488.39 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID24566664
Molecular FormulaC20H23Cl2N3O5S
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H23Cl2N3O5S/c1-29-17-12-16(18(30-2)11-15(17)22)23-20(26)13-24-7-9-25(10-8-24)31(27,28)19-6-4-3-5-14(19)21/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyFTPIRWIAVNCCJF-UHFFFAOYSA-N
XLogP2.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(2,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3652459
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46374953
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 6469434
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 24566664) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is FTPIRWIAVNCCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O5S/c1-29-17-12-16(18(30-2)11-15(17)22)23-20(26)13-24-7-9-25(10-8-24)31(27,28)19-6-4-3-5-14(19)21/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 488.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 24566664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).