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

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Related Compounds

Intepirdine
CID 11256720
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
N-{4-[4-(2-Methyl-quinolin-4-yl)-piperazine-1-sulfonyl]-phenyl}-acetamide
CID 651482
2-(4-fluorophenylsulfonyl)-2-methyl-N-(quinolin-3-yl)propanamide
CID 44569505
N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide
CID 118873483
N-[4-[(5-pyridin-3-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide
CID 118873476
N-[4-[[4-(acridin-9-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 12254653
N-(9-{4-[(Methanesulfonyl)amino]anilino}acridin-4-yl)acetamide
CID 12999241
10-methyl-N-(4-methylsulfonylphenyl)acridin-10-ium-9-amine
CID 44336711
N-(2-methylquinolin-4-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 134130630
N-acridin-9-yl-3-(4-methylphenyl)sulfonylpropanamide
CID 46374975
N-methyl-8-(piperazin-1-yl)-3-(phenylsulfonyl)quinolin-4-amine
CID 89842413

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).