2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide

C27H30N2O3S — CID 24656982

IUPAC2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)c1
InChIInChI=1S/C27H30N2O3S/c1-19-15-20(2)27(21(3)16-19)33(31,32)28-17-24-7-4-5-8-25(24)23-12-10-22(11-13-23)18-29-14-6-9-26(29)30/h4-5,7-8,10-13,15-16,28H,6,9,14,17-18H2,1-3H3
InChIKeyNTXXZPVMYJPDMR-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.88
Rot. Bonds7

About 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide

2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide (PubChem CID 24656982) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
PubChem CID24656982
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)c1
InChIInChI=1S/C27H30N2O3S/c1-19-15-20(2)27(21(3)16-19)33(31,32)28-17-24-7-4-5-8-25(24)23-12-10-22(11-13-23)18-29-14-6-9-26(29)30/h4-5,7-8,10-13,15-16,28H,6,9,14,17-18H2,1-3H3
InChIKeyNTXXZPVMYJPDMR-UHFFFAOYSA-N
XLogP4.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]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 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide (CID 24656982) is 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is NTXXZPVMYJPDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-19-15-20(2)27(21(3)16-19)33(31,32)28-17-24-7-4-5-8-25(24)23-12-10-22(11-13-23)18-29-14-6-9-26(29)30/h4-5,7-8,10-13,15-16,28H,6,9,14,17-18H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 462.62 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 24656982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).