N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C22H24N4O3S — CID 651482

IUPACN-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16-15-22(20-5-3-4-6-21(20)23-16)25-11-13-26(14-12-25)30(28,29)19-9-7-18(8-10-19)24-17(2)27/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyUCDZGGRIXDWJHC-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.01
Rot. Bonds4

About N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 651482) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID651482
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16-15-22(20-5-3-4-6-21(20)23-16)25-11-13-26(14-12-25)30(28,29)19-9-7-18(8-10-19)24-17(2)27/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyUCDZGGRIXDWJHC-UHFFFAOYSA-N
XLogP3.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 651482) is N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is UCDZGGRIXDWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16-15-22(20-5-3-4-6-21(20)23-16)25-11-13-26(14-12-25)30(28,29)19-9-7-18(8-10-19)24-17(2)27/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 651482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).