N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C24H32N4O4S — CID 2912816

IUPACN-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1
InChIInChI=1S/C24H32N4O4S/c1-19(29)25-20-7-9-22(10-8-20)33(30,31)28-13-11-21(12-14-28)26-15-17-27(18-16-26)23-5-3-4-6-24(23)32-2/h3-10,21H,11-18H2,1-2H3,(H,25,29)
InChIKeyBZNQTZGIPXMNFE-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.63
Rot. Bonds6

About N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2912816) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID2912816
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1
InChIInChI=1S/C24H32N4O4S/c1-19(29)25-20-7-9-22(10-8-20)33(30,31)28-13-11-21(12-14-28)26-15-17-27(18-16-26)23-5-3-4-6-24(23)32-2/h3-10,21H,11-18H2,1-2H3,(H,25,29)
InChIKeyBZNQTZGIPXMNFE-UHFFFAOYSA-N
XLogP2.63
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 2912816) is N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide is COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1.
What is the InChIKey of N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is BZNQTZGIPXMNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-19(29)25-20-7-9-22(10-8-20)33(30,31)28-13-11-21(12-14-28)26-15-17-27(18-16-26)23-5-3-4-6-24(23)32-2/h3-10,21H,11-18H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2912816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).