2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

C25H32N4O4S — CID 55437029

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-20-9-11-21(12-10-20)34(32,33)29-17-15-27(16-18-29)19-24(30)26-23-8-4-3-7-22(23)25(31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,26,30)
InChIKeyASVKBADGKIFZIO-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 55437029) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID55437029
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-20-9-11-21(12-10-20)34(32,33)29-17-15-27(16-18-29)19-24(30)26-23-8-4-3-7-22(23)25(31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,26,30)
InChIKeyASVKBADGKIFZIO-UHFFFAOYSA-N
XLogP2.57
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126416060
N-[2-(azepane-1-carbonyl)phenyl]-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43925510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (CID 55437029) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ASVKBADGKIFZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-20-9-11-21(12-10-20)34(32,33)29-17-15-27(16-18-29)19-24(30)26-23-8-4-3-7-22(23)25(31)28-13-5-2-6-14-28/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,26,30).
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 484.62 g/mol, XLogP of 2.57, 6 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-[2-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55437029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).