N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C25H33N3O5S — CID 55850858

IUPACN-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(C)c1C
InChIInChI=1S/C25H33N3O5S/c1-16-17(2)19(4)24(20(5)18(16)3)34(32,33)26-11-10-23(30)27-12-14-28(15-13-27)25(31)21-8-6-7-9-22(21)29/h6-9,26,29H,10-15H2,1-5H3
InChIKeyRJSNDIXIHVIALX-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.59
Rot. Bonds6

About N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 55850858) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID55850858
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(C)c1C
InChIInChI=1S/C25H33N3O5S/c1-16-17(2)19(4)24(20(5)18(16)3)34(32,33)26-11-10-23(30)27-12-14-28(15-13-27)25(31)21-8-6-7-9-22(21)29/h6-9,26,29H,10-15H2,1-5H3
InChIKeyRJSNDIXIHVIALX-UHFFFAOYSA-N
XLogP2.59
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55850851
N-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38046295
3,4-difluoro-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55851497
2,3,4,5,6-pentamethyl-N-[3-oxo-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55440149
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144
2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
CID 51293304
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide;hydrochloride
CID 119413364
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903
3,4-difluoro-N-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 38357337
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 120805059
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 119381659

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 55850858) is N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(C)c1C.
What is the InChIKey of N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is RJSNDIXIHVIALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-16-17(2)19(4)24(20(5)18(16)3)34(32,33)26-11-10-23(30)27-12-14-28(15-13-27)25(31)21-8-6-7-9-22(21)29/h6-9,26,29H,10-15H2,1-5H3.
What are the key properties of N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 487.62 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 55850858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).