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

C20H28N4O3S — CID 33346978

IUPACN,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1
InChIInChI=1S/C20H28N4O3S/c1-4-23(5-2)19(25)15-22-9-11-24(12-10-22)28(26,27)18-8-6-7-17-13-16(3)14-21-20(17)18/h6-8,13-14H,4-5,9-12,15H2,1-3H3
InChIKeySYVXWHFVJVASJI-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.72
Rot. Bonds6

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

N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 33346978) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID33346978
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1
InChIInChI=1S/C20H28N4O3S/c1-4-23(5-2)19(25)15-22-9-11-24(12-10-22)28(26,27)18-8-6-7-17-13-16(3)14-21-20(17)18/h6-8,13-14H,4-5,9-12,15H2,1-3H3
InChIKeySYVXWHFVJVASJI-UHFFFAOYSA-N
XLogP1.72
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444234
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
N-(2-ethylphenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37089341
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-(2-cyanoethyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37091540
3-methyl-8-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylquinoline
CID 56550580
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
2-ethyl-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 55615001
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31990964
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31991565
5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 133351886

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide (CID 33346978) is N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is SYVXWHFVJVASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-4-23(5-2)19(25)15-22-9-11-24(12-10-22)28(26,27)18-8-6-7-17-13-16(3)14-21-20(17)18/h6-8,13-14H,4-5,9-12,15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 404.54 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 33346978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).