N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide

C22H30N4O4S — CID 53161450

IUPACN-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C22H30N4O4S/c1-17(2)15-24-11-13-25(14-12-24)21(27)16-26-18(3)9-10-20(22(26)28)23-31(29,30)19-7-5-4-6-8-19/h4-10,17,23H,11-16H2,1-3H3
InChIKeyLANIWRONDNQSDL-UHFFFAOYSA-N
MW446.57 g/mol
LogP1.76
Rot. Bonds7

About N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide

N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide (PubChem CID 53161450) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
PubChem CID53161450
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC NameN-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C22H30N4O4S/c1-17(2)15-24-11-13-25(14-12-24)21(27)16-26-18(3)9-10-20(22(26)28)23-31(29,30)19-7-5-4-6-8-19/h4-10,17,23H,11-16H2,1-3H3
InChIKeyLANIWRONDNQSDL-UHFFFAOYSA-N
XLogP1.76
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide (CID 53161450) is N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
The InChIKey is LANIWRONDNQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-17(2)15-24-11-13-25(14-12-24)21(27)16-26-18(3)9-10-20(22(26)28)23-31(29,30)19-7-5-4-6-8-19/h4-10,17,23H,11-16H2,1-3H3.
What are the key properties of N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 53161450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).