N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide

C12H15NO5S2 — CID 174753591

IUPACN-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2cccs2)O1
InChIInChI=1S/C12H15NO5S2/c1-4-20(16,17)13(3)11-9(14)10(15)12(2,18-11)8-6-5-7-19-8/h5-7,14H,4H2,1-3H3
InChIKeyJDKGWWZOOGMXBV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.57
Rot. Bonds4

About N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide

N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide (PubChem CID 174753591) has the molecular formula C12H15NO5S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide
PubChem CID174753591
Molecular FormulaC12H15NO5S2
Molecular Weight317.39 g/mol
Exact Mass317.04
IUPAC NameN-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2cccs2)O1
InChIInChI=1S/C12H15NO5S2/c1-4-20(16,17)13(3)11-9(14)10(15)12(2,18-11)8-6-5-7-19-8/h5-7,14H,4H2,1-3H3
InChIKeyJDKGWWZOOGMXBV-UHFFFAOYSA-N
XLogP1.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
CID 174753543
[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 175463079
(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate
CID 140833945
2-propyl-1-thiophen-2-ylcyclopropan-1-ol
CID 79332590
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
sodium 2-ethyl-3-methyl-3-thiophen-2-yloxirane-2-carboxylate
CID 25104020
N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698462
2-propyl-2-thiophen-2-yl-1,3-dioxolane
CID 83957583
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
(2S,3S)-2-methyl-2-thiophen-2-yl-4-oxaspiro[2.5]octan-5-one
CID 101431520

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide?
The IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide (CID 174753591) is N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2cccs2)O1.
What is the InChIKey of N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide?
The InChIKey is JDKGWWZOOGMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S2/c1-4-20(16,17)13(3)11-9(14)10(15)12(2,18-11)8-6-5-7-19-8/h5-7,14H,4H2,1-3H3.
What are the key properties of N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide?
N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide has a molecular weight of 317.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 174753591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).