2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide

C24H33N3O4S — CID 55680186

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)c3ccc(OC(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H33N3O4S/c1-18(2)31-22-9-7-21(8-10-22)20(4)25-24(28)17-26-13-15-27(16-14-26)32(29,30)23-11-5-19(3)6-12-23/h5-12,18,20H,13-17H2,1-4H3,(H,25,28)
InChIKeyRMNQMLLPAYVIPY-UHFFFAOYSA-N
MW459.61 g/mol
LogP2.97
Rot. Bonds8

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 55680186) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID55680186
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)c3ccc(OC(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H33N3O4S/c1-18(2)31-22-9-7-21(8-10-22)20(4)25-24(28)17-26-13-15-27(16-14-26)32(29,30)23-11-5-19(3)6-12-23/h5-12,18,20H,13-17H2,1-4H3,(H,25,28)
InChIKeyRMNQMLLPAYVIPY-UHFFFAOYSA-N
XLogP2.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411673
3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1-phenylethyl)propanamide
CID 42930155
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 55354672
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
N-(propan-2-ylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8796879
N-(tert-butylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698072
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46560063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 55680186) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)c3ccc(OC(C)C)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is RMNQMLLPAYVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-18(2)31-22-9-7-21(8-10-22)20(4)25-24(28)17-26-13-15-27(16-14-26)32(29,30)23-11-5-19(3)6-12-23/h5-12,18,20H,13-17H2,1-4H3,(H,25,28).
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 459.61 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55680186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).