N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide

C24H28N4O3S — CID 43074722

IUPACN,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C(=O)N(C)C)c4ccccc4)CC3)cccc2c1
InChIInChI=1S/C24H28N4O3S/c1-18-16-20-10-7-11-21(22(20)25-17-18)32(30,31)28-14-12-27(13-15-28)23(24(29)26(2)3)19-8-5-4-6-9-19/h4-11,16-17,23H,12-15H2,1-3H3
InChIKeyNTNDGOWKFGFWOU-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.68
Rot. Bonds5

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

N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide (PubChem CID 43074722) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
PubChem CID43074722
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C(=O)N(C)C)c4ccccc4)CC3)cccc2c1
InChIInChI=1S/C24H28N4O3S/c1-18-16-20-10-7-11-21(22(20)25-17-18)32(30,31)28-14-12-27(13-15-28)23(24(29)26(2)3)19-8-5-4-6-9-19/h4-11,16-17,23H,12-15H2,1-3H3
InChIKeyNTNDGOWKFGFWOU-UHFFFAOYSA-N
XLogP2.68
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51119868
(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276916
3-methyl-8-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]sulfonylquinoline
CID 34157363
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 43074720
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
N-(5-chloro-2-pyridinyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 42957437
(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide (CID 43074722) is N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide is Cc1cnc2c(S(=O)(=O)N3CCN(C(C(=O)N(C)C)c4ccccc4)CC3)cccc2c1.
What is the InChIKey of N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The InChIKey is NTNDGOWKFGFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-16-20-10-7-11-21(22(20)25-17-18)32(30,31)28-14-12-27(13-15-28)23(24(29)26(2)3)19-8-5-4-6-9-19/h4-11,16-17,23H,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide has a molecular weight of 452.58 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 43074722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).