benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)

C283H437F2N15O6S7 — CID 157360648

IUPACbenzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CF.CNC(C)=O.CNC(C)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C9H9N.13C9H12.4C7H8.2C6H9NO.C6H6.C5H7N.4C5H5N.C4H6N2.6C4H4S.4C4H10.C3H4N2.2C3H7NO.15C2H6.2CH3F.CH5NO2S/c1-10-7-6-8-4-2-3-5-9(8)10;13*1-8(2)9-6-4-3-5-7-9;4*1-7-5-3-2-4-6-7;2*1-4-5(2)7-8-6(4)3;1-2-4-6-5-3-1;1-6-4-2-3-5-6;4*1-2-4-6-5-3-1;1-6-4-2-3-5-6;6*1-2-4-5-3-1;4*1-4(2)3;1-2-4-5-3-1;2*1-3(5)4-2;17*1-2;1-5(2,3)4/h2-7H,1H3;13*3-8H,1-2H3;4*2-6H,1H3;2*1-3H3;1-6H;2-5H,1H3;4*1-5H;2-4H,1H3;6*1-4H;4*4H,1-3H3;1-3H,(H,4,5);2*1-2H3,(H,4,5);15*1-2H3;2*1H3;1H3,(H2,2,3,4)
InChIKeyBIPGDXXMRQXQLF-UHFFFAOYSA-N
MW4408.17 g/mol
LogP89.87
Rot. Bonds13

About benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)

benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole) (PubChem CID 157360648) has the molecular formula C283H437F2N15O6S7 and a molecular weight of 4408.17 g/mol. Its IUPAC name is benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole).

Molecular Properties

Compound Namebenzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)
PubChem CID157360648
Molecular FormulaC283H437F2N15O6S7
Molecular Weight4408.17 g/mol
Exact Mass4404.24
IUPAC Namebenzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CF.CNC(C)=O.CNC(C)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C9H9N.13C9H12.4C7H8.2C6H9NO.C6H6.C5H7N.4C5H5N.C4H6N2.6C4H4S.4C4H10.C3H4N2.2C3H7NO.15C2H6.2CH3F.CH5NO2S/c1-10-7-6-8-4-2-3-5-9(8)10;13*1-8(2)9-6-4-3-5-7-9;4*1-7-5-3-2-4-6-7;2*1-4-5(2)7-8-6(4)3;1-2-4-6-5-3-1;1-6-4-2-3-5-6;4*1-2-4-6-5-3-1;1-6-4-2-3-5-6;6*1-2-4-5-3-1;4*1-4(2)3;1-2-4-5-3-1;2*1-3(5)4-2;17*1-2;1-5(2,3)4/h2-7H,1H3;13*3-8H,1-2H3;4*2-6H,1H3;2*1-3H3;1-6H;2-5H,1H3;4*1-5H;2-4H,1H3;6*1-4H;4*4H,1-3H3;1-3H,(H,4,5);2*1-2H3,(H,4,5);15*1-2H3;2*1H3;1H3,(H2,2,3,4)
InChIKeyBIPGDXXMRQXQLF-UHFFFAOYSA-N
XLogP89.87
TPSA278.34 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004408.17
LogP ≤ 589.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)?
The IUPAC name of benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole) (CID 157360648) is benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole).
What is the SMILES notation for benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)?
The canonical SMILES for benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CF.CNC(C)=O.CNC(C)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1ccsc1.c1cn[nH]c1.
What is the InChIKey of benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)?
The InChIKey is BIPGDXXMRQXQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.13C9H12.4C7H8.2C6H9NO.C6H6.C5H7N.4C5H5N.C4H6N2.6C4H4S.4C4H10.C3H4N2.2C3H7NO.15C2H6.2CH3F.CH5NO2S/c1-10-7-6-8-4-2-3-5-9(8)10;13*1-8(2)9-6-4-3-5-7-9;4*1-7-5-3-2-4-6-7;2*1-4-5(2)7-8-6(4)3;1-2-4-6-5-3-1;1-6-4-2-3-5-6;4*1-2-4-6-5-3-1;1-6-4-2-3-5-6;6*1-2-4-5-3-1;4*1-4(2)3;1-2-4-5-3-1;2*1-3(5)4-2;17*1-2;1-5(2,3)4/h2-7H,1H3;13*3-8H,1-2H3;4*2-6H,1H3;2*1-3H3;1-6H;2-5H,1H3;4*1-5H;2-4H,1H3;6*1-4H;4*4H,1-3H3;1-3H,(H,4,5);2*1-2H3,(H,4,5);15*1-2H3;2*1H3;1H3,(H2,2,3,4).
What are the key properties of benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole)?
benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole) has a molecular weight of 4408.17 g/mol, XLogP of 89.87, 13 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cumene;ethane;fluoromethane;methanesulfonamide;bis(N-methylacetamide);1-methylindole;tetrakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1H-pyrazole;tetrakis(pyridine);thiophene;toluene;bis(3,4,5-trimethyl-1,2-oxazole) is sourced from PubChem (CID 157360648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).