4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide

C104H115N15O16S6 — CID 157103416

IUPAC4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide
SMILESC.C.C.C.Cc1ccc(S(=O)(=O)Nc2c(N3CCN(C(=O)c4cccs4)CC3)c3ccccc3n(C)c2=O)cc1.Cn1c(=O)c(NS(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21.Cn1c(=O)c(NS(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cn1c(=O)c(S(C)(=O)=O)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C27H26N4O4S.C26H26N4O4S2.C25H24N4O4S2.C22H23N3O4S.4CH4/c1-29-23-15-9-8-14-22(23)25(24(27(29)33)28-36(34,35)21-12-6-3-7-13-21)30-16-18-31(19-17-30)26(32)20-10-4-2-5-11-20;1-18-9-11-19(12-10-18)36(33,34)27-23-24(20-6-3-4-7-21(20)28(2)26(23)32)29-13-15-30(16-14-29)25(31)22-8-5-17-35-22;1-27-20-11-6-5-10-19(20)23(22(25(27)31)26-35(32,33)18-8-3-2-4-9-18)28-13-15-29(16-14-28)24(30)21-12-7-17-34-21;1-23-18-11-7-6-10-17(18)19(20(22(23)27)30(2,28)29)24-12-14-25(15-13-24)21(26)16-8-4-3-5-9-16;;;;/h2-15,28H,16-19H2,1H3;3-12,17,27H,13-16H2,1-2H3;2-12,17,26H,13-16H2,1H3;3-11H,12-15H2,1-2H3;4*1H4
InChIKeyAGAJKBRIUWWZBR-UHFFFAOYSA-N
MW2023.55 g/mol
LogP14.79
Rot. Bonds18

About 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide

4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide (PubChem CID 157103416) has the molecular formula C104H115N15O16S6 and a molecular weight of 2023.55 g/mol. Its IUPAC name is 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide
PubChem CID157103416
Molecular FormulaC104H115N15O16S6
Molecular Weight2023.55 g/mol
Exact Mass2021.70
IUPAC Name4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide
SMILESC.C.C.C.Cc1ccc(S(=O)(=O)Nc2c(N3CCN(C(=O)c4cccs4)CC3)c3ccccc3n(C)c2=O)cc1.Cn1c(=O)c(NS(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21.Cn1c(=O)c(NS(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cn1c(=O)c(S(C)(=O)=O)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C27H26N4O4S.C26H26N4O4S2.C25H24N4O4S2.C22H23N3O4S.4CH4/c1-29-23-15-9-8-14-22(23)25(24(27(29)33)28-36(34,35)21-12-6-3-7-13-21)30-16-18-31(19-17-30)26(32)20-10-4-2-5-11-20;1-18-9-11-19(12-10-18)36(33,34)27-23-24(20-6-3-4-7-21(20)28(2)26(23)32)29-13-15-30(16-14-29)25(31)22-8-5-17-35-22;1-27-20-11-6-5-10-19(20)23(22(25(27)31)26-35(32,33)18-8-3-2-4-9-18)28-13-15-29(16-14-28)24(30)21-12-7-17-34-21;1-23-18-11-7-6-10-17(18)19(20(22(23)27)30(2,28)29)24-12-14-25(15-13-24)21(26)16-8-4-3-5-9-16;;;;/h2-15,28H,16-19H2,1H3;3-12,17,27H,13-16H2,1-2H3;2-12,17,26H,13-16H2,1H3;3-11H,12-15H2,1-2H3;4*1H4
InChIKeyAGAJKBRIUWWZBR-UHFFFAOYSA-N
XLogP14.79
TPSA354.85 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002023.55
LogP ≤ 514.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-3-methylsulfonyl-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinolin-2-one
CID 23543771
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane
CID 161069610
4-[4-(2,3-dihydrothiophene-5-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one
CID 71189061
N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide
CID 142188075
ethyl 1,6-dimethyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 160776504
3-amino-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 71166960
[1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]-dioxidoazanium
CID 163669934
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-[(1S)-1-(benzenesulfonyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 51857974
1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081868
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848
2-oxo-1-pentyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081937

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide?
The IUPAC name of 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide (CID 157103416) is 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide is C.C.C.C.Cc1ccc(S(=O)(=O)Nc2c(N3CCN(C(=O)c4cccs4)CC3)c3ccccc3n(C)c2=O)cc1.Cn1c(=O)c(NS(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21.Cn1c(=O)c(NS(=O)(=O)c2ccccc2)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cn1c(=O)c(S(C)(=O)=O)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide?
The InChIKey is AGAJKBRIUWWZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4S.C26H26N4O4S2.C25H24N4O4S2.C22H23N3O4S.4CH4/c1-29-23-15-9-8-14-22(23)25(24(27(29)33)28-36(34,35)21-12-6-3-7-13-21)30-16-18-31(19-17-30)26(32)20-10-4-2-5-11-20;1-18-9-11-19(12-10-18)36(33,34)27-23-24(20-6-3-4-7-21(20)28(2)26(23)32)29-13-15-30(16-14-29)25(31)22-8-5-17-35-22;1-27-20-11-6-5-10-19(20)23(22(25(27)31)26-35(32,33)18-8-3-2-4-9-18)28-13-15-29(16-14-28)24(30)21-12-7-17-34-21;1-23-18-11-7-6-10-17(18)19(20(22(23)27)30(2,28)29)24-12-14-25(15-13-24)21(26)16-8-4-3-5-9-16;;;;/h2-15,28H,16-19H2,1H3;3-12,17,27H,13-16H2,1-2H3;2-12,17,26H,13-16H2,1H3;3-11H,12-15H2,1-2H3;4*1H4.
What are the key properties of 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide?
4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide has a molecular weight of 2023.55 g/mol, XLogP of 14.79, 18 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazin-1-yl)-1-methyl-3-methylsulfonylquinolin-2-one;N-[4-(4-benzoylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]benzenesulfonamide;methane;4-methyl-N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide;N-[1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 157103416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).