N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide

C21H28N4O3S — CID 46444315

IUPACN-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(CC(=O)NC4CCCC4)CC3)cccc2c1
InChIInChI=1S/C21H28N4O3S/c1-16-13-17-5-4-8-19(21(17)22-14-16)29(27,28)25-11-9-24(10-12-25)15-20(26)23-18-6-2-3-7-18/h4-5,8,13-14,18H,2-3,6-7,9-12,15H2,1H3,(H,23,26)
InChIKeyWJZNHRBTJKLJLI-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide

N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 46444315) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID46444315
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(CC(=O)NC4CCCC4)CC3)cccc2c1
InChIInChI=1S/C21H28N4O3S/c1-16-13-17-5-4-8-19(21(17)22-14-16)29(27,28)25-11-9-24(10-12-25)15-20(26)23-18-6-2-3-7-18/h4-5,8,13-14,18H,2-3,6-7,9-12,15H2,1H3,(H,23,26)
InChIKeyWJZNHRBTJKLJLI-UHFFFAOYSA-N
XLogP1.91
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
N-(2-cyanoethyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37091540
N-(2-ethylphenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37089341
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31990964
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31991565
N-(2-cyanoethyl)-N-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444234
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841
[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methanol
CID 110892063
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
CID 30598898
2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51119868

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide (CID 46444315) is N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide is Cc1cnc2c(S(=O)(=O)N3CCN(CC(=O)NC4CCCC4)CC3)cccc2c1.
What is the InChIKey of N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is WJZNHRBTJKLJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-16-13-17-5-4-8-19(21(17)22-14-16)29(27,28)25-11-9-24(10-12-25)15-20(26)23-18-6-2-3-7-18/h4-5,8,13-14,18H,2-3,6-7,9-12,15H2,1H3,(H,23,26).
What are the key properties of N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 46444315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).