N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide

C11H17NO4S — CID 75497652

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CC(C)C)c(C)o1
InChIInChI=1S/C11H17NO4S/c1-7(2)5-11(13)12-17(14,15)10-6-8(3)16-9(10)4/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyIDYXKKKGZLLQRY-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.75
Rot. Bonds4

About N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide (PubChem CID 75497652) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
PubChem CID75497652
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CC(C)C)c(C)o1
InChIInChI=1S/C11H17NO4S/c1-7(2)5-11(13)12-17(14,15)10-6-8(3)16-9(10)4/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyIDYXKKKGZLLQRY-UHFFFAOYSA-N
XLogP1.75
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
CID 75472163
2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
CID 99852828
(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide
CID 99614548
N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
CID 86782476
N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide
CID 75472165
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
(1R,4S)-N-(2,5-dimethylfuran-3-yl)sulfonyl-6-oxobicyclo[2.2.1]heptane-2-carboxamide
CID 154841818
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 166201074
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-pyrimidin-4-ylprop-2-enamide
CID 126802633
2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
CID 6175255
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 146075410

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide (CID 75497652) is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide is Cc1cc(S(=O)(=O)NC(=O)CC(C)C)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide?
The InChIKey is IDYXKKKGZLLQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-7(2)5-11(13)12-17(14,15)10-6-8(3)16-9(10)4/h6-7H,5H2,1-4H3,(H,12,13).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide has a molecular weight of 259.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide is sourced from PubChem (CID 75497652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).