N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide

C29H30N4O3S — CID 137376661

IUPACN-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(C)nc4c(N5CCCCC5)cccc34)cc2)cc1
InChIInChI=1S/C29H30N4O3S/c1-20-19-27(26-7-6-8-28(29(26)30-20)33-17-4-3-5-18-33)32-23-11-15-25(16-12-23)37(35,36)24-13-9-22(10-14-24)31-21(2)34/h6-16,19H,3-5,17-18H2,1-2H3,(H,30,32)(H,31,34)
InChIKeyTUUMEDLYZRNMEH-UHFFFAOYSA-N
MW514.65 g/mol
LogP6.07
Rot. Bonds6

About N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide

N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide (PubChem CID 137376661) has the molecular formula C29H30N4O3S and a molecular weight of 514.65 g/mol. Its IUPAC name is N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
PubChem CID137376661
Molecular FormulaC29H30N4O3S
Molecular Weight514.65 g/mol
Exact Mass514.20
IUPAC NameN-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(C)nc4c(N5CCCCC5)cccc34)cc2)cc1
InChIInChI=1S/C29H30N4O3S/c1-20-19-27(26-7-6-8-28(29(26)30-20)33-17-4-3-5-18-33)32-23-11-15-25(16-12-23)37(35,36)24-13-9-22(10-14-24)31-21(2)34/h6-16,19H,3-5,17-18H2,1-2H3,(H,30,32)(H,31,34)
InChIKeyTUUMEDLYZRNMEH-UHFFFAOYSA-N
XLogP6.07
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide 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-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide (CID 137376661) is N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc(C)nc4c(N5CCCCC5)cccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
The InChIKey is TUUMEDLYZRNMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3S/c1-20-19-27(26-7-6-8-28(29(26)30-20)33-17-4-3-5-18-33)32-23-11-15-25(16-12-23)37(35,36)24-13-9-22(10-14-24)31-21(2)34/h6-16,19H,3-5,17-18H2,1-2H3,(H,30,32)(H,31,34).
What are the key properties of N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide?
N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide has a molecular weight of 514.65 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 137376661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).