N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide

C24H27N3O4S — CID 67291182

IUPACN-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(CNS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C24H27N3O4S/c1-24(2,3)19-12-18(21-6-5-11-25-23(21)29)13-20(14-19)27-22(28)17-9-7-16(8-10-17)15-26-32(4,30)31/h5-14,26H,15H2,1-4H3,(H,25,29)(H,27,28)
InChIKeyLBXANFJUSVXHSX-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.64
Rot. Bonds6

About N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide

N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide (PubChem CID 67291182) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide.

Molecular Properties

Compound NameN-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide
PubChem CID67291182
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(CNS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C24H27N3O4S/c1-24(2,3)19-12-18(21-6-5-11-25-23(21)29)13-20(14-19)27-22(28)17-9-7-16(8-10-17)15-26-32(4,30)31/h5-14,26H,15H2,1-4H3,(H,25,29)(H,27,28)
InChIKeyLBXANFJUSVXHSX-UHFFFAOYSA-N
XLogP3.64
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide 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-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide?
The IUPAC name of N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide (CID 67291182) is N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide.
What is the SMILES notation for N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide?
The canonical SMILES for N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(CNS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)c1.
What is the InChIKey of N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide?
The InChIKey is LBXANFJUSVXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-24(2,3)19-12-18(21-6-5-11-25-23(21)29)13-20(14-19)27-22(28)17-9-7-16(8-10-17)15-26-32(4,30)31/h5-14,26H,15H2,1-4H3,(H,25,29)(H,27,28).
What are the key properties of N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide?
N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide has a molecular weight of 453.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]-4-(methanesulfonamidomethyl)benzamide is sourced from PubChem (CID 67291182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).