ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C27H44N4O4S2 — CID 160965950

IUPACethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESC.CC.CC.CC.CC.CNC(=O)c1c[nH]c2ccsc2c1=O.CNC(=O)c1c[nH]c2sccc2c1=O
InChIInChI=1S/2C9H8N2O2S.4C2H6.CH4/c1-10-9(13)5-4-11-6-2-3-14-8(6)7(5)12;1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9;4*1-2;/h2*2-4H,1H3,(H,10,13)(H,11,12);4*1-2H3;1H4
InChIKeySXPVMVHZMIXXBY-UHFFFAOYSA-N
MW552.81 g/mol
LogP6.64
Rot. Bonds2

About ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 160965950) has the molecular formula C27H44N4O4S2 and a molecular weight of 552.81 g/mol. Its IUPAC name is ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID160965950
Molecular FormulaC27H44N4O4S2
Molecular Weight552.81 g/mol
Exact Mass552.28
IUPAC Nameethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESC.CC.CC.CC.CC.CNC(=O)c1c[nH]c2ccsc2c1=O.CNC(=O)c1c[nH]c2sccc2c1=O
InChIInChI=1S/2C9H8N2O2S.4C2H6.CH4/c1-10-9(13)5-4-11-6-2-3-14-8(6)7(5)12;1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9;4*1-2;/h2*2-4H,1H3,(H,10,13)(H,11,12);4*1-2H3;1H4
InChIKeySXPVMVHZMIXXBY-UHFFFAOYSA-N
XLogP6.64
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.81
LogP ≤ 56.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 160965950) is ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is C.CC.CC.CC.CC.CNC(=O)c1c[nH]c2ccsc2c1=O.CNC(=O)c1c[nH]c2sccc2c1=O.
What is the InChIKey of ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is SXPVMVHZMIXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N2O2S.4C2H6.CH4/c1-10-9(13)5-4-11-6-2-3-14-8(6)7(5)12;1-10-8(13)6-4-11-9-5(7(6)12)2-3-14-9;4*1-2;/h2*2-4H,1H3,(H,10,13)(H,11,12);4*1-2H3;1H4.
What are the key properties of ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 552.81 g/mol, XLogP of 6.64, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 160965950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).