ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

C14H16N2O6S2 — CID 131722586

IUPACethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2sc(S(=O)(=O)N3CCOCC3)cc2c1=O
InChIInChI=1S/C14H16N2O6S2/c1-2-22-14(18)10-8-15-13-9(12(10)17)7-11(23-13)24(19,20)16-3-5-21-6-4-16/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyMZWNUAATLBCAPY-UHFFFAOYSA-N
MW372.42 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate (PubChem CID 131722586) has the molecular formula C14H16N2O6S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
PubChem CID131722586
Molecular FormulaC14H16N2O6S2
Molecular Weight372.42 g/mol
Exact Mass372.04
IUPAC Nameethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2sc(S(=O)(=O)N3CCOCC3)cc2c1=O
InChIInChI=1S/C14H16N2O6S2/c1-2-22-14(18)10-8-15-13-9(12(10)17)7-11(23-13)24(19,20)16-3-5-21-6-4-16/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyMZWNUAATLBCAPY-UHFFFAOYSA-N
XLogP0.79
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 19100425
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521159
ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
CID 141190183
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600436
ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 55600474
ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947289
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitrothiophene-3-carboxylate
CID 3679747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate (CID 131722586) is ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1c[nH]c2sc(S(=O)(=O)N3CCOCC3)cc2c1=O.
What is the InChIKey of ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is MZWNUAATLBCAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S2/c1-2-22-14(18)10-8-15-13-9(12(10)17)7-11(23-13)24(19,20)16-3-5-21-6-4-16/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylsulfonyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 131722586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).