N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane

C27H30N4O5S — CID 161069610

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane
SMILESC.Cc1ccc(S(=O)(=O)Nc2c(N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C26H26N4O5S.CH4/c1-18-9-11-19(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;/h3-12,17,27H,13-16H2,1-2H3;1H4
InChIKeyUEMCRBNDJZDJQA-UHFFFAOYSA-N
MW522.63 g/mol
LogP3.84
Rot. Bonds5

About N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane (PubChem CID 161069610) has the molecular formula C27H30N4O5S and a molecular weight of 522.63 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane
PubChem CID161069610
Molecular FormulaC27H30N4O5S
Molecular Weight522.63 g/mol
Exact Mass522.19
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane
SMILESC.Cc1ccc(S(=O)(=O)Nc2c(N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C26H26N4O5S.CH4/c1-18-9-11-19(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;/h3-12,17,27H,13-16H2,1-2H3;1H4
InChIKeyUEMCRBNDJZDJQA-UHFFFAOYSA-N
XLogP3.84
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2-phenylethyl)quinolin-2-one
CID 23543846
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706
ethyl 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carboxylate
CID 159746864
ethane;ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 142188022
1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
CID 23543752
ethyl 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 23543888
3-(dihydroxyamino)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 162598894
N-ethyl-4-(furan-2-carbonyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111167330
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate
CID 23543985

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane (CID 161069610) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane is C.Cc1ccc(S(=O)(=O)Nc2c(N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane?
The InChIKey is UEMCRBNDJZDJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S.CH4/c1-18-9-11-19(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;/h3-12,17,27H,13-16H2,1-2H3;1H4.
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane has a molecular weight of 522.63 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]-4-methylbenzenesulfonamide;methane is sourced from PubChem (CID 161069610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).