N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

C21H25N3O5S — CID 55862646

IUPACN-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O5S/c1-15-7-8-18(25)19(13-15)30(28,29)24-11-9-23(10-12-24)20(26)14-22-21(27)17-6-4-3-5-16(17)2/h3-8,13,25H,9-12,14H2,1-2H3,(H,22,27)
InChIKeyGMJIQPCDINKMDR-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.27
Rot. Bonds5

About N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 55862646) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
PubChem CID55862646
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O5S/c1-15-7-8-18(25)19(13-15)30(28,29)24-11-9-23(10-12-24)20(26)14-22-21(27)17-6-4-3-5-16(17)2/h3-8,13,25H,9-12,14H2,1-2H3,(H,22,27)
InChIKeyGMJIQPCDINKMDR-UHFFFAOYSA-N
XLogP1.27
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
CID 2688194
N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42948890
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 24634807
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
2-methyl-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 46523795
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-[1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55863794
2-(4-bromophenoxy)-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55863802
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55882494
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide (CID 55862646) is N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide is Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is GMJIQPCDINKMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15-7-8-18(25)19(13-15)30(28,29)24-11-9-23(10-12-24)20(26)14-22-21(27)17-6-4-3-5-16(17)2/h3-8,13,25H,9-12,14H2,1-2H3,(H,22,27).
What are the key properties of N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 431.51 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 55862646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).