2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C22H27ClN4O4S — CID 2992178

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN4O4S/c23-18-2-1-3-20(16-18)26-10-8-25(9-11-26)17-22(28)24-19-4-6-21(7-5-19)32(29,30)27-12-14-31-15-13-27/h1-7,16H,8-15,17H2,(H,24,28)
InChIKeyCEPZTJQJAASHDQ-UHFFFAOYSA-N
MW479.00 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 2992178) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID2992178
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN4O4S/c23-18-2-1-3-20(16-18)26-10-8-25(9-11-26)17-22(28)24-19-4-6-21(7-5-19)32(29,30)27-12-14-31-15-13-27/h1-7,16H,8-15,17H2,(H,24,28)
InChIKeyCEPZTJQJAASHDQ-UHFFFAOYSA-N
XLogP2.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 2992178) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is CEPZTJQJAASHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c23-18-2-1-3-20(16-18)26-10-8-25(9-11-26)17-22(28)24-19-4-6-21(7-5-19)32(29,30)27-12-14-31-15-13-27/h1-7,16H,8-15,17H2,(H,24,28).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 479.00 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2992178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).