N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide

C11H15NO4S — CID 154841487

IUPACN-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)C2CCC2)c(C)o1
InChIInChI=1S/C11H15NO4S/c1-7-6-10(8(2)16-7)11(13)12-17(14,15)9-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,12,13)
InChIKeyYRWBIKVNPHDZLE-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.51
Rot. Bonds3

About N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide

N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 154841487) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide
PubChem CID154841487
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)C2CCC2)c(C)o1
InChIInChI=1S/C11H15NO4S/c1-7-6-10(8(2)16-7)11(13)12-17(14,15)9-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,12,13)
InChIKeyYRWBIKVNPHDZLE-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
CID 78895737
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
N-(2-amino-1-cyclopentylethyl)-2,5-dimethylfuran-3-carboxamide
CID 106737497
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938

Frequently Asked Questions

What is the IUPAC name of N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide (CID 154841487) is N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NS(=O)(=O)C2CCC2)c(C)o1.
What is the InChIKey of N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YRWBIKVNPHDZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7-6-10(8(2)16-7)11(13)12-17(14,15)9-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide?
N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 257.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 154841487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).