2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C20H24ClN3O4S — CID 3242974

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-15-3-8-19(28-2)18(13-15)22-20(25)14-23-9-11-24(12-10-23)29(26,27)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyIJWIBOSNLQISMJ-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.60
Rot. Bonds6

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3242974) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3242974
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-15-3-8-19(28-2)18(13-15)22-20(25)14-23-9-11-24(12-10-23)29(26,27)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyIJWIBOSNLQISMJ-UHFFFAOYSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 3242974) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is IJWIBOSNLQISMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-15-3-8-19(28-2)18(13-15)22-20(25)14-23-9-11-24(12-10-23)29(26,27)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3242974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).