potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium

C53H58K3N6O17PS3 — CID 159122144

IUPACpotassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.COc1c(-c2ccc3cc(OS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.CS(N)(=O)=O.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C26H27N3O5S.C26H26N2O6S.CH5NO2S.3K.HO4P/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;1-26(2,3)22-15-19(28-11-10-23(29)27-25(28)30)14-21(24(22)33-4)18-7-6-17-13-20(34-35(5,31)32)9-8-16(17)12-18;1-5(2,3)4;;;;1-4-5(2)3/h6-15,28H,1-5H3,(H,27,30,31);6-15H,1-5H3,(H,27,29,30);1H3,(H2,2,3,4);;;;1H/q;;;;;+1;/p-1
InChIKeyKFVDVRLXBDTXLQ-UHFFFAOYSA-M
MW1295.54 g/mol
LogP1.46
Rot. Bonds11

About potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 159122144) has the molecular formula C53H58K3N6O17PS3 and a molecular weight of 1295.54 g/mol. Its IUPAC name is potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID159122144
Molecular FormulaC53H58K3N6O17PS3
Molecular Weight1295.54 g/mol
Exact Mass1294.17
IUPAC Namepotassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.COc1c(-c2ccc3cc(OS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.CS(N)(=O)=O.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C26H27N3O5S.C26H26N2O6S.CH5NO2S.3K.HO4P/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;1-26(2,3)22-15-19(28-11-10-23(29)27-25(28)30)14-21(24(22)33-4)18-7-6-17-13-20(34-35(5,31)32)9-8-16(17)12-18;1-5(2,3)4;;;;1-4-5(2)3/h6-15,28H,1-5H3,(H,27,30,31);6-15H,1-5H3,(H,27,29,30);1H3,(H2,2,3,4);;;;1H/q;;;;;+1;/p-1
InChIKeyKFVDVRLXBDTXLQ-UHFFFAOYSA-M
XLogP1.46
TPSA350.30 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.54
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 159122144) is potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium is COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.COc1c(-c2ccc3cc(OS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.CS(N)(=O)=O.O=[P+]([O-])O[O-].[K+].[K][K].
What is the InChIKey of potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is KFVDVRLXBDTXLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27N3O5S.C26H26N2O6S.CH5NO2S.3K.HO4P/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;1-26(2,3)22-15-19(28-11-10-23(29)27-25(28)30)14-21(24(22)33-4)18-7-6-17-13-20(34-35(5,31)32)9-8-16(17)12-18;1-5(2,3)4;;;;1-4-5(2)3/h6-15,28H,1-5H3,(H,27,30,31);6-15H,1-5H3,(H,27,29,30);1H3,(H2,2,3,4);;;;1H/q;;;;;+1;/p-1.
What are the key properties of potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 1295.54 g/mol, XLogP of 1.46, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 159122144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).