N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

C12H16N2O4S — CID 95073598

IUPACN-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(-c2cc(C)no2)o1
InChIInChI=1S/C12H16N2O4S/c1-4-8(2)14-19(15,16)12-6-5-10(17-12)11-7-9(3)13-18-11/h5-8,14H,4H2,1-3H3/t8-/m0/s1
InChIKeyYUGGYBSWQUMRDJ-QMMMGPOBSA-N
MW284.34 g/mol
LogP2.32
Rot. Bonds5

About N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (PubChem CID 95073598) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
PubChem CID95073598
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(-c2cc(C)no2)o1
InChIInChI=1S/C12H16N2O4S/c1-4-8(2)14-19(15,16)12-6-5-10(17-12)11-7-9(3)13-18-11/h5-8,14H,4H2,1-3H3/t8-/m0/s1
InChIKeyYUGGYBSWQUMRDJ-QMMMGPOBSA-N
XLogP2.32
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073597
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085799
N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085812
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849
3-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]-1,2-oxazole
CID 53085838
5-(3-methyl-1,2-oxazol-5-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]furan-2-sulfonamide
CID 131910108
formic acid;N-(4-methoxycyclohexyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 171322623
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole
CID 95073599
N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936303
2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936427

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (CID 95073598) is N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is CC[C@H](C)NS(=O)(=O)c1ccc(-c2cc(C)no2)o1.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The InChIKey is YUGGYBSWQUMRDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-8(2)14-19(15,16)12-6-5-10(17-12)11-7-9(3)13-18-11/h5-8,14H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 95073598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).